A0A077ZJZ9_TRITR Loading...

Small ribosomal subunit protein bS6m

AlphaFold DB , UniProt , Accession A0A077ZJZ9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 160 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M79.7Confident93.4Very high173 Ų17332.9 Ų32.985%0.85217%0.168SC*.  0122.40-70.5170.2172.500107.2C69M1-C69 HydrophobicContact CB-CB 4.35Å
2P90.7Very high93.4Very high34 Ų3434.8 Ų34.822%0.22119%0.185CC..  trans-63.5148.6177.414-17.4000111.8Y4 C69 M70 V72P2-Y4 HydrophobicContact CB-CD2 4.44Å; P2-Y4 HydrophobicContact CB-CE2 3.73Å; P2-Y4 HydrophobicContact CG-CE2 3.73Å; P2-C69 WeakPolarHBondContact O-CA 3.5Å; P2-M70 WeakPolarHBondContact CD-O 3.47Å; P2-M70 VanDerWaalsContact CG-O 3.31Å; P2-M70 WeakPolarHBondContact CG-O 3.15Å; P2-M70 PolarHBondContact O-N 2.92Å; P2-M70 VanDerWaalsContact O-N 3.11Å; P2-V72 HydrophobicContact CG-CG2 3.66Å
3F93.8Very high93.2Very high33 Ų3336.8 Ų36.815%0.14519%0.191CC..EExtended strand (participates in β ladder)trans-95.8135.1177.5-175.5-97.3000109.1Q67 A96 P98F3-Q67 HydrophobicContact CE2-CB 4.23Å; F3-Q67 HydrophobicContact CZ-CB 3.73Å; F3-Q67 HydrophobicContact CZ-CG 4.3Å; F3-A96 HydrophobicContact CD1-CB 3.73Å; F3-A96 HydrophobicContact CE1-CB 4.14Å; F3-A96 PolarHBondContact O-N 2.93Å; F3-A96 VanDerWaalsContact O-O 3.06Å; F3-P98 HydrophobicContact CB-CB 4.33Å; F3-P98 HydrophobicContact CB-CG 4.39Å
4Y94.7Very high93.3Very high9 Ų943.3 Ų43.34%0.03523%0.225CC..EExtended strand (participates in β ladder)trans-129.5136.2-178.5-66.8-88.2000110.7P2 C68 M70 C75 H94 Q95P2-Y4 HydrophobicContact CB-CD2 4.44Å; P2-Y4 HydrophobicContact CB-CE2 3.73Å; P2-Y4 HydrophobicContact CG-CE2 3.73Å; Y4-C68 PolarHBondContact N-O 2.66Å; Y4-C68 PolarHBondContact O-N 3.3Å; Y4-M70 HydrophobicContact CD2-CG 3.46Å; Y4-M70 VanDerWaalsContact CD2-CG 3.46Å; Y4-M70 HydrophobicContact CD2-SD 4.28Å; Y4-M70 HydrophobicContact CE2-CG 3.63Å; Y4-M70 WeakPolarHBondContact CE2-O 3.46Å; Y4-M70 HydrophobicContact CG-CG 4.4Å; Y4-C75 HydrophobicContact CE1-CB 4.4Å; Y4-C75 VanDerWaalsContact CE1-SG 3.59Å; Y4-C75 HydrophobicContact CE2-CB 4.18Å; Y4-H94 CarbonylContact C-O 3.5Å; Y4-H94 WeakPolarHBondContact CA-O 3.19Å; Y4-Q95 HydrophobicContact CD1-CB 3.94Å; Y4-Q95 HydrophobicContact CD1-CG 4.42Å; Y4-Q95 HydrophobicContact CE1-CB 3.65Å; Y4-Q95 HydrophobicContact CE1-CG 3.99Å
5D95.1Very high93.3Very high34 Ų3452.9 Ų52.918%0.18227%0.265CS..EExtended strand (participates in β ladder)trans-94.5115162.6-71.7-29.7000108.1Q67 H94D5-Q67 WeakPolarHBondContact OD1-CG 3.09Å; D5-Q67 PolarHBondContact OD1-NE2 3.14Å; D5-H94 HydrophobicContact CB-CB 4.41Å; D5-H94 PolarHBondContact N-O 3.21Å; D5-H94 PolarHBondContact O-N 2.98Å
6V95.5Very high93.5Very high0 Ų055.3 Ų55.30%029%0.285CS..EExtended strand (participates in β ladder)trans-103.8112.9178.5-174.50000108.9L8 V66 Y92 F93V6-L8 HydrophobicContact CG1-CD2 3.87Å; V6-L8 HydrophobicContact CG1-CG 4.22Å; V6-V66 HydrophobicContact CB-CB 4.23Å; V6-V66 PolarHBondContact N-O 3.27Å; V6-V66 PolarHBondContact O-N 3.01Å; V6-Y92 CarbonylContact C-O 3.59Å; V6-Y92 WeakPolarHBondContact CA-O 3.31Å; V6-F93 HydrophobicContact CB-CD1 4.39Å; V6-F93 HydrophobicContact CB-CE1 4.26Å; V6-F93 HydrophobicContact CG1-CD1 4.13Å; V6-F93 HydrophobicContact CG1-CD2 4.38Å; V6-F93 HydrophobicContact CG1-CE1 3.74Å; V6-F93 HydrophobicContact CG1-CE2 4Å; V6-F93 HydrophobicContact CG1-CG 4.42Å; V6-F93 HydrophobicContact CG1-CZ 3.64Å; V6-F93 HydrophobicContact CG2-CD1 3.48Å; V6-F93 VanDerWaalsContact CG2-CD1 3.48Å; V6-F93 HydrophobicContact CG2-CE1 3.45Å; V6-F93 VanDerWaalsContact CG2-CE1 3.45Å; V6-F93 HydrophobicContact CG2-CG 4.29Å; V6-F93 HydrophobicContact CG2-CZ 4.25Å
7V96.4Very high93.6Very high37 Ų3756.6 Ų56.622%0.22429%0.293CS..EExtended strand (participates in β ladder)trans-95.1119175.9-177.60000108.8L65 S91 Y92V7-L65 HydrophobicContact CG2-CD1 4.24Å; V7-S91 WeakPolarHBondContact O-CA 3.36Å; V7-Y92 PolarHBondContact N-O 3.03Å; V7-Y92 PolarHBondContact O-N 2.91Å
8L95.9Very high93.7Very high0 Ų055.2 Ų55.20%029%0.285CS..EExtended strand (participates in β ladder)trans-109.4120.5176.2-57.8177.6000109.1V6 M10 C25 V64 V66 F82 I88V6-L8 HydrophobicContact CG1-CD2 3.87Å; V6-L8 HydrophobicContact CG1-CG 4.22Å; L8-M10 HydrophobicContact CB-CG 4.43Å; L8-C25 HydrophobicContact CD1-CB 4.19Å; L8-V64 HydrophobicContact CB-CB 4.49Å; L8-V64 PolarHBondContact N-O 3.37Å; L8-V64 PolarHBondContact O-N 2.9Å; L8-V66 HydrophobicContact CD1-CG2 3.93Å; L8-V66 HydrophobicContact CG-CG2 4.47Å; L8-F82 HydrophobicContact CD1-CE1 4.31Å; L8-F82 HydrophobicContact CD2-CD1 3.92Å; L8-F82 HydrophobicContact CD2-CE1 4.02Å; L8-I88 HydrophobicContact CD2-CD1 4.47Å; L8-I88 HydrophobicContact CD2-CG2 4.36Å
9I96.4Very high93.9Very high15 Ų1555.4 Ų55.48%0.07730%0.296CS..EExtended strand (participates in β ladder)trans-99.3107.5168.6-56.1-176000106.7L47 Y63 I88 I89 H90I9-L47 HydrophobicContact CD1-CD2 4.45Å; I9-L47 HydrophobicContact CG2-CD2 3.68Å; I9-Y63 HydrophobicContact CD1-CD1 4.21Å; I9-Y63 HydrophobicContact CD1-CE1 3.53Å; I9-Y63 HydrophobicContact CG1-CD1 3.88Å; I9-Y63 HydrophobicContact CG1-CE1 3.73Å; I9-I88 CarbonylContact O-C 3.55Å; I9-I89 HydrophobicContact CG2-CB 4.11Å; I9-I89 HydrophobicContact CG2-CD1 4.29Å; I9-I89 WeakPolarHBondContact O-CA 3.42Å; I9-I89 PolarHBondContact O-N 3.11Å; I9-H90 HydrophobicContact CB-CB 4.19Å; I9-H90 HydrophobicContact CD1-CB 4.16Å; I9-H90 HydrophobicContact CG1-CB 4.4Å; I9-H90 PolarHBondContact N-O 3.27Å; I9-H90 PolarHBondContact O-N 3.25Å
10M95.3Very high94Very high0 Ų055.7 Ų55.70%031%0.306CS..EExtended strand (participates in β ladder)trans-95.8156.2-177.8-51.7-161.379.900111.2L8 L18 S21 L22 G61 S62 I88L8-M10 HydrophobicContact CB-CG 4.43Å; M10-L18 HydrophobicContact CB-CD1 4Å; M10-L18 HydrophobicContact CG-CD1 4.31Å; M10-L18 HydrophobicContact SD-CD1 3.62Å; M10-S21 VanDerWaalsContact CE-CB 3.43Å; M10-S21 WeakPolarHBondContact CE-OG 3.41Å; M10-L22 HydrophobicContact CE-CD2 4.39Å; M10-L22 HydrophobicContact SD-CD2 3.37Å; M10-L22 WeakPolarHBondContact SD-CD2 3.49Å; M10-L22 HydrophobicContact SD-CG 3.64Å; M10-G61 WeakPolarHBondContact O-CA 3.33Å; M10-S62 PolarHBondContact N-O 3.36Å; M10-S62 PolarHBondContact O-N 3.31Å; M10-I88 HydrophobicContact CE-CG1 4.2Å
11K94.3Very high94.1Very high27 Ų2753.2 Ų53.212%0.11729%0.293CS..  trans-55.6153.3171-72.3-179.2179.8169.60111.2F13 F58 S86 D87 I89K11-F13 VanDerWaalsContact C-N 3.28Å; K11-F13 HydrophobicContact CB-CD2 4.08Å; K11-F13 HydrophobicContact CB-CE1 4.37Å; K11-F13 HydrophobicContact CB-CE2 3.65Å; K11-F13 HydrophobicContact CB-CZ 3.81Å; K11-F13 HydrophobicContact CD-CZ 4.21Å; K11-F13 WeakPolarHBondContact O-CD2 3.43Å; K11-F13 PolarHBondContact O-N 2.8Å; K11-F58 HydrophobicContact CB-CE1 4.32Å; K11-F58 HydrophobicContact CD-CE1 4.04Å; K11-F58 HydrophobicContact CD-CZ 3.75Å; K11-F58 VanDerWaalsContact CE-CZ 3.43Å; K11-F58 HydrophobicContact CG-CD1 4.41Å; K11-F58 HydrophobicContact CG-CE1 3.73Å; K11-F58 HydrophobicContact CG-CE2 4.39Å; K11-F58 HydrophobicContact CG-CZ 3.74Å; K11-S86 WeakPolarHBondContact CE-O 3.34Å; K11-S86 PolarHBondContact NZ-O 3.49Å; K11-D87 WeakPolarHBondContact CG-O 3.37Å; K11-D87 PolarHBondContact N-O 2.82Å; K11-I89 HydrophobicContact CG-CD1 4.38Å; K11-I89 HydrophobicContact CG-CG1 3.86Å
12P92.5Very high94.9Very high56 Ų5646.2 Ų46.236%0.36426%0.259SS..SBendtrans-67.186.5174.830.7-37.9000110.1Y44 F58P12-Y44 HydrophobicContact CB-CE2 3.73Å; P12-F58 HydrophobicContact CG-CD1 4.3Å
13F91.1Very high95.1Very high60 Ų6052 Ų5226%0.26328%0.28SS..  trans-96.2157.3-179-76.9-56.9000112.8K11 D17 L18 D87K11-F13 VanDerWaalsContact C-N 3.28Å; K11-F13 HydrophobicContact CB-CD2 4.08Å; K11-F13 HydrophobicContact CB-CE1 4.37Å; K11-F13 HydrophobicContact CB-CE2 3.65Å; K11-F13 HydrophobicContact CB-CZ 3.81Å; K11-F13 HydrophobicContact CD-CZ 4.21Å; K11-F13 WeakPolarHBondContact O-CD2 3.43Å; K11-F13 PolarHBondContact O-N 2.8Å; F13-D17 HydrophobicContact CB-CB 3.98Å; F13-D17 HydrophobicContact CD1-CB 3.73Å; F13-D17 HydrophobicContact CE1-CB 4.46Å; F13-D17 HydrophobicContact CG-CB 3.96Å; F13-L18 HydrophobicContact CB-CB 4.02Å; F13-D87 HydrophobicContact CE2-CB 3.73Å; F13-D87 HydrophobicContact CZ-CB 3.77Å
14L94.1Very high95.2Very high128 Ų12854.3 Ų54.367%0.6729%0.288SS*.  trans-64.6154.2158.6-72.6152.3000109.4P16 D17 L18L14-P16 VanDerWaalsContact C-CD 3.47Å; L14-P16 HydrophobicContact CB-CG 4.33Å; L14-D17 PolarHBondContact O-N 2.92Å; L14-D17 VanDerWaalsContact O-N 3.14Å; L14-L18 PolarHBondContact O-N 3.4Å
15K93.9Very high95.3Very high188 Ų18853.9 Ų53.982%0.81729%0.287SS*.Hα-helixtrans-48.8-45.8-179.2-68.4-175.7178.8178.80115.1A19K15-A19 WeakPolarHBondContact O-CB 3.14Å; K15-A19 PolarHBondContact O-N 2.93Å
16P96.4Very high95.3Very high90 Ų9053.3 Ų53.358%0.58429%0.285SS*.Hα-helixtrans-64-41.6179.224.5-35.2000112.8L14 A19 A20L14-P16 VanDerWaalsContact C-CD 3.47Å; L14-P16 HydrophobicContact CB-CG 4.33Å; P16-A19 PolarHBondContact O-N 2.67Å; P16-A20 WeakPolarHBondContact O-CB 3.28Å; P16-A20 PolarHBondContact O-N 2.92Å
17D95.9Very high95.4Very high79 Ų7956.1 Ų56.142%0.42230%0.302SS..Hα-helixtrans-70.3-36.5-178.6-57.4-30.6000111.3F13 L14 A20 S21F13-D17 HydrophobicContact CB-CB 3.98Å; F13-D17 HydrophobicContact CD1-CB 3.73Å; F13-D17 HydrophobicContact CE1-CB 4.46Å; F13-D17 HydrophobicContact CG-CB 3.96Å; L14-D17 PolarHBondContact O-N 2.92Å; L14-D17 VanDerWaalsContact O-N 3.14Å; D17-A20 PolarHBondContact O-N 2.97Å; D17-S21 WeakPolarHBondContact O-CB 3.27Å; D17-S21 PolarHBondContact O-N 3.5Å; D17-S21 PolarHBondContact O-OG 2.88Å
18L95.6Very high95.3Very high31 Ų3157.3 Ų57.316%0.16230%0.304CS..Hα-helixtrans-62-45.4172.1-173.665.9000111M10 F13 L14 S21 L22M10-L18 HydrophobicContact CB-CD1 4Å; M10-L18 HydrophobicContact CG-CD1 4.31Å; M10-L18 HydrophobicContact SD-CD1 3.62Å; F13-L18 HydrophobicContact CB-CB 4.02Å; L14-L18 PolarHBondContact O-N 3.4Å; L18-S21 WeakPolarHBondContact CA-OG 2.92Å; L18-S21 PolarHBondContact O-N 2.76Å; L18-S21 PolarHBondContact O-OG 2.97Å; L18-L22 HydrophobicContact CD1-CD1 4.47Å; L18-L22 HydrophobicContact CG-CD1 4.12Å; L18-L22 WeakPolarHBondContact O-CB 3.32Å; L18-L22 VanDerWaalsContact O-CG 3.27Å; L18-L22 WeakPolarHBondContact O-CG 3.26Å; L18-L22 PolarHBondContact O-N 2.92Å
19A95.8Very high95.3Very high59 Ų5957.3 Ų57.349%0.48830%0.304SS..Hα-helixtrans-64.6-40.6177.900000112K15 P16 K23K15-A19 WeakPolarHBondContact O-CB 3.14Å; K15-A19 PolarHBondContact O-N 2.93Å; P16-A19 PolarHBondContact O-N 2.67Å; A19-K23 VanDerWaalsContact O-CB 3.28Å; A19-K23 WeakPolarHBondContact O-CB 3.44Å; A19-K23 PolarHBondContact O-N 3Å
20A96.8Very high95.3Very high61 Ų6161.2 Ų61.250%0.50433%0.325SS..Hα-helixtrans-65.1-45.3177.900000112.1P16 D17 K23 R24P16-A20 WeakPolarHBondContact O-CB 3.28Å; P16-A20 PolarHBondContact O-N 2.92Å; D17-A20 PolarHBondContact O-N 2.97Å; A20-K23 PolarHBondContact O-N 3.4Å; A20-R24 PolarHBondContact O-N 3.34Å
21S95.8Very high95.3Very high3 Ų367.4 Ų67.42%0.02136%0.358CS..Hα-helixtrans-66.6-40.8177.455.50000111.7M10 D17 L18 R24 C25M10-S21 VanDerWaalsContact CE-CB 3.43Å; M10-S21 WeakPolarHBondContact CE-OG 3.41Å; D17-S21 WeakPolarHBondContact O-CB 3.27Å; D17-S21 PolarHBondContact O-N 3.5Å; D17-S21 PolarHBondContact O-OG 2.88Å; L18-S21 WeakPolarHBondContact CA-OG 2.92Å; L18-S21 PolarHBondContact O-N 2.76Å; L18-S21 PolarHBondContact O-OG 2.97Å; S21-R24 WeakPolarHBondContact O-CB 3.42Å; S21-R24 PolarHBondContact O-N 2.98Å; S21-C25 PolarHBondContact O-N 2.99Å; S21-C25 PolarHBondContact O-SG 3.16Å
22L96Very high95.2Very high27 Ų2767.2 Ų67.214%0.14136%0.358CS..Hα-helixtrans-62.7-45.1172.5-76174.7000112.6M10 L18 R24 C25 C26 V64M10-L22 HydrophobicContact CE-CD2 4.39Å; M10-L22 HydrophobicContact SD-CD2 3.37Å; M10-L22 WeakPolarHBondContact SD-CD2 3.49Å; M10-L22 HydrophobicContact SD-CG 3.64Å; L18-L22 HydrophobicContact CD1-CD1 4.47Å; L18-L22 HydrophobicContact CG-CD1 4.12Å; L18-L22 WeakPolarHBondContact O-CB 3.32Å; L18-L22 VanDerWaalsContact O-CG 3.27Å; L18-L22 WeakPolarHBondContact O-CG 3.26Å; L18-L22 PolarHBondContact O-N 2.92Å; L22-R24 VanDerWaalsContact C-N 3.27Å; L22-R24 PolarHBondContact O-N 2.98Å; L22-C25 WeakPolarHBondContact O-CB 3.47Å; L22-C25 PolarHBondContact O-N 2.96Å; L22-C25 VanDerWaalsContact O-N 3.07Å; L22-C26 PolarHBondContact O-N 3.37Å; L22-C26 PolarHBondContact O-SG 3.24Å; L22-C26 VanDerWaalsContact O-SG 3.37Å; L22-V64 HydrophobicContact CD1-CG2 4.19Å; L22-V64 HydrophobicContact CD2-CB 4.12Å; L22-V64 HydrophobicContact CD2-CG1 3.78Å; L22-V64 HydrophobicContact CD2-CG2 4.01Å
23K96.6Very high95.1Very high154 Ų15466.5 Ų66.567%0.6736%0.36SS*.Hα-helixtrans-55.6-45175-176.8179.2178.9-179.20110.7A19 A20 C25 C26 T27A19-K23 VanDerWaalsContact O-CB 3.28Å; A19-K23 WeakPolarHBondContact O-CB 3.44Å; A19-K23 PolarHBondContact O-N 3Å; A20-K23 PolarHBondContact O-N 3.4Å; K23-C25 PolarHBondContact O-N 3.06Å; K23-C26 PolarHBondContact O-N 3.27Å; K23-T27 HydrophobicContact CG-CG2 4.48Å; K23-T27 VanDerWaalsContact O-CG2 3.3Å; K23-T27 WeakPolarHBondContact O-CG2 3.37Å; K23-T27 PolarHBondContact O-N 2.67Å; K23-T27 PolarHBondContact O-OG1 2.87Å; K23-T27 VanDerWaalsContact O-OG1 3.08Å
24R95.9Very high95.3Very high83 Ų8363.9 Ų63.931%0.31335%0.35SS..Hα-helixtrans-60.8-41.8175.4-174.6-179.971.3-137.8-10.3112.4A20 S21 L22 T27 K28 D85 D87A20-R24 PolarHBondContact O-N 3.34Å; S21-R24 WeakPolarHBondContact O-CB 3.42Å; S21-R24 PolarHBondContact O-N 2.98Å; L22-R24 VanDerWaalsContact C-N 3.27Å; L22-R24 PolarHBondContact O-N 2.98Å; R24-T27 WeakPolarHBondContact CA-OG1 3.3Å; R24-T27 PolarHBondContact O-OG1 3.46Å; R24-K28 WeakPolarHBondContact O-CB 3.44Å; R24-K28 VanDerWaalsContact O-CG 3.3Å; R24-K28 WeakPolarHBondContact O-CG 3.49Å; R24-K28 PolarHBondContact O-N 3.14Å; R24-K28 VanDerWaalsContact O-N 3.11Å; R24-D85 IonicContact CZ-OD1 3.02Å; R24-D85 IonicContact CZ-OD2 2.93Å; R24-D85 IonicContact NE-OD1 3.27Å; R24-D85 IonicContact NE-OD2 2.88Å; R24-D85 PolarHBondContact NE-OD2 3.11Å; R24-D85 VanDerWaalsContact NE-OD2 3.14Å; R24-D85 IonicContact NH2-OD1 3.53Å; R24-D85 PolarHBondContact NH2-OD1 2.91Å; R24-D85 IonicContact NH2-OD2 3.27Å; R24-D85 PolarHBondContact NH2-OD2 2.86Å; R24-D87 IonicContact CZ-OD2 3.27Å; R24-D87 VanDerWaalsContact CZ-OD2 3.27Å; R24-D87 IonicContact NH1-OD2 3.57Å; R24-D87 PolarHBondContact NH1-OD2 3.43Å; R24-D87 VanDerWaalsContact NH2-CG 3.34Å; R24-D87 IonicContact NH2-OD2 3.14Å; R24-D87 PolarHBondContact NH2-OD2 3.45Å
25C95.8Very high95.3Very high0 Ų062 Ų620%034%0.343CS..Hα-helixtrans-64.4-47.6177.6-660000111.7L8 S21 L22 K23 K28 L29 F82 I88L8-C25 HydrophobicContact CD1-CB 4.19Å; S21-C25 PolarHBondContact O-N 2.99Å; S21-C25 PolarHBondContact O-SG 3.16Å; L22-C25 WeakPolarHBondContact O-CB 3.47Å; L22-C25 PolarHBondContact O-N 2.96Å; L22-C25 VanDerWaalsContact O-N 3.07Å; K23-C25 PolarHBondContact O-N 3.06Å; C25-K28 PolarHBondContact O-N 3.02Å; C25-L29 WeakPolarHBondContact O-CG 3.49Å; C25-L29 PolarHBondContact O-N 3.29Å; C25-F82 HydrophobicContact CB-CE1 3.74Å; C25-F82 HydrophobicContact CB-CZ 4.15Å; C25-I88 VanDerWaalsContact SG-CD1 3.55Å
26C96.2Very high95.4Very high21 Ų2155.4 Ų55.414%0.14232%0.317CS..Hα-helixtrans-65.6-41.7179.8-66.30000112.1L22 K23 K28 L29 I30 I36L22-C26 PolarHBondContact O-N 3.37Å; L22-C26 PolarHBondContact O-SG 3.24Å; L22-C26 VanDerWaalsContact O-SG 3.37Å; K23-C26 PolarHBondContact O-N 3.27Å; C26-K28 PolarHBondContact O-N 3.12Å; C26-L29 WeakPolarHBondContact O-CB 3.29Å; C26-L29 PolarHBondContact O-N 2.88Å; C26-I30 VanDerWaalsContact O-CG1 3.29Å; C26-I30 WeakPolarHBondContact O-CG1 3.34Å; C26-I30 PolarHBondContact O-N 2.97Å; C26-I36 HydrophobicContact CB-CD1 3.8Å
27T96.6Very high95.3Very high60 Ų6055.3 Ų55.337%0.36832%0.315SS..Hα-helixtrans-64.5-40176.254.20000111.8K23 R24 L29 I30 N31K23-T27 HydrophobicContact CG-CG2 4.48Å; K23-T27 VanDerWaalsContact O-CG2 3.3Å; K23-T27 WeakPolarHBondContact O-CG2 3.37Å; K23-T27 PolarHBondContact O-N 2.67Å; K23-T27 PolarHBondContact O-OG1 2.87Å; K23-T27 VanDerWaalsContact O-OG1 3.08Å; R24-T27 WeakPolarHBondContact CA-OG1 3.3Å; R24-T27 PolarHBondContact O-OG1 3.46Å; T27-L29 VanDerWaalsContact C-N 3.35Å; T27-L29 PolarHBondContact O-N 3.37Å; T27-I30 PolarHBondContact O-N 3.27Å; T27-N31 WeakPolarHBondContact O-CB 3.3Å; T27-N31 PolarHBondContact O-N 3.26Å; T27-N31 PolarHBondContact O-ND2 3.49Å; T27-N31 PolarHBondContact O-OD1 3.02Å
28K95.3Very high95.3Very high61 Ų6153.4 Ų53.427%0.26531%0.307SS..Hα-helixtrans-61.9-40.5173.7-75.4-179.5178.3176.70112.4R24 C25 C26 N32 M78 D85R24-K28 WeakPolarHBondContact O-CB 3.44Å; R24-K28 VanDerWaalsContact O-CG 3.3Å; R24-K28 WeakPolarHBondContact O-CG 3.49Å; R24-K28 PolarHBondContact O-N 3.14Å; R24-K28 VanDerWaalsContact O-N 3.11Å; C25-K28 PolarHBondContact O-N 3.02Å; C26-K28 PolarHBondContact O-N 3.12Å; K28-N32 PolarHBondContact O-N 2.97Å; K28-N32 PolarHBondContact O-ND2 2.92Å; K28-M78 HydrophobicContact CB-CE 3.97Å; K28-D85 IonicContact NZ-OD2 2.71Å; K28-D85 PolarHBondContact NZ-OD2 2.84Å
29L95.4Very high95.3Very high0 Ų056.4 Ų56.40%032%0.323CS..Hα-helixtrans-61-49.4174.9-78.3165.7000111.1C25 C26 T27 N31 N32 A34 I36 V66 M78 F82C25-L29 WeakPolarHBondContact O-CG 3.49Å; C25-L29 PolarHBondContact O-N 3.29Å; C26-L29 WeakPolarHBondContact O-CB 3.29Å; C26-L29 PolarHBondContact O-N 2.88Å; T27-L29 VanDerWaalsContact C-N 3.35Å; T27-L29 PolarHBondContact O-N 3.37Å; L29-N31 PolarHBondContact O-N 2.88Å; L29-N32 PolarHBondContact O-N 3.07Å; L29-A34 HydrophobicContact CB-CB 4.02Å; L29-A34 HydrophobicContact CD2-CB 4.29Å; L29-A34 WeakPolarHBondContact O-CB 3.38Å; L29-A34 PolarHBondContact O-N 3.11Å; L29-I36 HydrophobicContact CB-CD1 4.44Å; L29-V66 HydrophobicContact CD1-CG1 4.04Å; L29-M78 HydrophobicContact CD2-CE 4.06Å; L29-M78 HydrophobicContact CD2-CG 4.46Å; L29-M78 HydrophobicContact CG-CE 4.27Å; L29-F82 HydrophobicContact CD1-CZ 4.05Å; L29-F82 HydrophobicContact CD2-CE2 3.8Å; L29-F82 HydrophobicContact CD2-CZ 4.16Å; L29-F82 HydrophobicContact CG-CE2 3.94Å; L29-F82 HydrophobicContact CG-CZ 3.8Å
30I95.5Very high95.4Very high98 Ų9855.7 Ų55.750%0.50332%0.315SS..Hα-helixtrans-61.8-43.4-179.8-66.5164.4000111.4C26 T27 N32 G33 I36C26-I30 VanDerWaalsContact O-CG1 3.29Å; C26-I30 WeakPolarHBondContact O-CG1 3.34Å; C26-I30 PolarHBondContact O-N 2.97Å; T27-I30 PolarHBondContact O-N 3.27Å; I30-N32 PolarHBondContact O-N 3.08Å; I30-G33 PolarHBondContact O-N 3.37Å; I30-I36 HydrophobicContact CD1-CD1 4.07Å; I30-I36 HydrophobicContact CG1-CD1 3.93Å; I30-I36 HydrophobicContact CG1-CG1 4.41Å
31N95.2Very high95.2Very high130 Ų13056.9 Ų56.970%0.69532%0.319SS*.Hα-helixtrans-62.4-27.7179.9-71.3-13.2000113.2T27 L29 G33T27-N31 WeakPolarHBondContact O-CB 3.3Å; T27-N31 PolarHBondContact O-N 3.26Å; T27-N31 PolarHBondContact O-ND2 3.49Å; T27-N31 PolarHBondContact O-OD1 3.02Å; L29-N31 PolarHBondContact O-N 2.88Å; N31-G33 VanDerWaalsContact C-N 3.32Å
32N92.6Very high95.2Very high22 Ų2260.3 Ų60.312%0.11834%0.337CS..THydrogen-bonded Turntrans-97.325.1177.3-67.8-61.6000112.4K28 L29 I30 A34 R77 M78K28-N32 PolarHBondContact O-N 2.97Å; K28-N32 PolarHBondContact O-ND2 2.92Å; L29-N32 PolarHBondContact O-N 3.07Å; I30-N32 PolarHBondContact O-N 3.08Å; N32-A34 PolarHBondContact O-N 3.42Å; N32-R77 PolarHBondContact OD1-NH1 3.49Å; N32-R77 PolarHBondContact OD1-NH2 2.99Å; N32-M78 HydrophobicContact CB-CG 4.24Å; N32-M78 HydrophobicContact CB-SD 3.57Å; N32-M78 VanDerWaalsContact CB-SD 3.57Å; N32-M78 PolarHBondContact ND2-SD 3.42Å
33G91.4Very high95.1Very high41 Ų4160.4 Ų60.442%0.42334%0.344SS..THydrogen-bonded Turntrans79.915171.200000115.2I30 N31I30-G33 PolarHBondContact O-N 3.37Å; N31-G33 VanDerWaalsContact C-N 3.32Å
34A94.4Very high95Very high5 Ų559.5 Ų59.54%0.04134%0.337CS..  trans-82.6134.9173.600000111.5L29 N32 C68 C69 M70L29-A34 HydrophobicContact CB-CB 4.02Å; L29-A34 HydrophobicContact CD2-CB 4.29Å; L29-A34 WeakPolarHBondContact O-CB 3.38Å; L29-A34 PolarHBondContact O-N 3.11Å; N32-A34 PolarHBondContact O-N 3.42Å; A34-C68 HydrophobicContact CB-CB 4.44Å; A34-C69 CarbonylContact C-O 3.58Å; A34-C69 VanDerWaalsContact CA-O 3.31Å; A34-C69 WeakPolarHBondContact CA-O 3.42Å; A34-M70 HydrophobicContact CB-CB 3.85Å
35V95.4Very high95Very high88 Ų8862.6 Ų62.653%0.53335%0.349SS..EExtended strand (participates in β ladder)trans-100.3113.6170.4-179.30000108.1C68 C69V35-C68 CarbonylContact O-C 3.51Å; V35-C68 WeakPolarHBondContact O-CA 3.38Å; V35-C68 WeakPolarHBondContact O-CB 3.38Å; V35-C69 HydrophobicContact CB-CB 4.41Å; V35-C69 PolarHBondContact N-O 2.8Å; V35-C69 PolarHBondContact O-N 3.4Å
36I95.7Very high95Very high50 Ų5068.2 Ų68.226%0.25638%0.379SS..EExtended strand (participates in β ladder)trans-81.9123.4-179.5-57.6171.7000109C26 L29 I30 V66 C68C26-I36 HydrophobicContact CB-CD1 3.8Å; L29-I36 HydrophobicContact CB-CD1 4.44Å; I30-I36 HydrophobicContact CD1-CD1 4.07Å; I30-I36 HydrophobicContact CG1-CD1 3.93Å; I30-I36 HydrophobicContact CG1-CG1 4.41Å; I36-V66 HydrophobicContact CG1-CG1 4.49Å; I36-V66 HydrophobicContact CG2-CG1 4.03Å; I36-C68 HydrophobicContact CG1-CB 4.38Å
37T94.6Very high95Very high89 Ų8967.8 Ų67.855%0.54638%0.376SS..EExtended strand (participates in β ladder)trans-90.5-45.2178.6-54.10000111.3Q67T37-Q67 PolarHBondContact N-O 2.95Å
38S95.1Very high94.9Very high38 Ų3870 Ų7027%0.26639%0.391SS..EExtended strand (participates in β ladder)trans-150152.2-179.683.10000111.1Q67S38-Q67 PolarHBondContact N-O 2.96Å; S38-Q67 PolarHBondContact O-N 3.49Å; S38-Q67 WeakPolarHBondContact OG-CB 3.38Å; S38-Q67 VanDerWaalsContact OG-CD 3.25Å; S38-Q67 WeakPolarHBondContact OG-CG 3.5Å; S38-Q67 PolarHBondContact OG-OE1 3.35Å
39L96Very high94.8Very high95 Ų9573.5 Ų73.550%0.49741%0.406SS..EExtended strand (participates in β ladder)trans-129116.7173.8178.969.3000107.5V64 V66L39-V64 HydrophobicContact CD1-CG1 3.63Å; L39-V66 HydrophobicContact CD1-CB 4.41Å; L39-V66 HydrophobicContact CD1-CG2 3.64Å
40S96.4Very high94.8Very high44 Ų4480.8 Ų80.831%0.30844%0.438SS..EExtended strand (participates in β ladder)trans-125.1135.8-179.463.70000110.9L65S40-L65 PolarHBondContact N-O 2.91Å; S40-L65 PolarHBondContact O-N 2.84Å; S40-L65 WeakPolarHBondContact OG-CD2 3.26Å; S40-L65 PolarHBondContact OG-O 3.35Å
41S94.5Very high94.7Very high85 Ų8577.5 Ų77.559%0.59442%0.421SS*.EExtended strand (participates in β ladder)trans-94.9126.1172.4-174.80000109.3G43S41-G43 VanDerWaalsContact C-N 3.28Å; S41-G43 PolarHBondContact OG-N 2.79Å
42L95Very high94.5Very high76 Ų7679.6 Ų79.640%0.39842%0.424SS..EExtended strand (participates in β ladder)trans-89.5-0175.7-56.9176000112.2R45 Y63 L65L42-R45 PolarHBondContact O-NE 3.02Å; L42-R45 VanDerWaalsContact O-NE 3.12Å; L42-R45 PolarHBondContact O-NH2 3.09Å; L42-Y63 PolarHBondContact N-O 2.81Å; L42-L65 HydrophobicContact CD1-CB 4.32Å; L42-L65 HydrophobicContact CG-CB 4.48Å
43G93.5Very high94.4Very high28 Ų2879.7 Ų79.729%0.28942%0.424SS..EExtended strand (participates in β ladder)trans92.3178.7176.900000114.6S41 Y63S41-G43 VanDerWaalsContact C-N 3.28Å; S41-G43 PolarHBondContact OG-N 2.79Å; G43-Y63 PolarHBondContact O-N 2.84Å
44Y95.4Very high94.2Very high135 Ų13583.8 Ų83.853%0.52943%0.432SS..EExtended strand (participates in β ladder)trans-85.3124171.9179.8-97.2000109.3P12 T60P12-Y44 HydrophobicContact CB-CE2 3.73Å; Y44-T60 HydrophobicContact CE1-CG2 4.41Å; Y44-T60 VanDerWaalsContact CZ-CB 3.49Å; Y44-T60 WeakPolarHBondContact OH-CB 3.41Å; Y44-T60 WeakPolarHBondContact OH-CG2 3.15Å; Y44-T60 PolarHBondContact OH-OG1 3.34Å
45R95.2Very high93.9Very high148 Ų14893 Ų9356%0.55847%0.474SS*.EExtended strand (participates in β ladder)trans-141.1159.4-177.6-59.9-176.2-173.4-161.1-1.4111L42 G61 Y63L42-R45 PolarHBondContact O-NE 3.02Å; L42-R45 VanDerWaalsContact O-NE 3.12Å; L42-R45 PolarHBondContact O-NH2 3.09Å; R45-G61 PolarHBondContact N-O 3.11Å; R45-G61 PolarHBondContact O-N 3.26Å; R45-G61 VanDerWaalsContact O-O 3.09Å; R45-Y63 HydrophobicContact CB-CD2 4.07Å; R45-Y63 HydrophobicContact CB-CE2 3.92Å; R45-Y63 HydrophobicContact CG-CD2 4.47Å
46D95.6Very high93.8Very high118 Ų11894.3 Ų94.363%0.63148%0.476SS*.EExtended strand (participates in β ladder)trans-70.4137.7167.9-61.4-18000109.4T60D46-T60 VanDerWaalsContact OD1-CG2 3.26Å; D46-T60 WeakPolarHBondContact OD1-CG2 3.3Å
47L95.3Very high93.7Very high13 Ų1396 Ų967%0.06849%0.488CS..EExtended strand (participates in β ladder)trans-72.3143.5175.5-62.4169.6000108.9I9 F49 L51 F58 I59 Y63I9-L47 HydrophobicContact CD1-CD2 4.45Å; I9-L47 HydrophobicContact CG2-CD2 3.68Å; L47-F49 WeakPolarHBondContact CB-O 3.42Å; L47-F49 PolarHBondContact O-N 2.79Å; L47-F49 VanDerWaalsContact O-N 3.11Å; L47-L51 HydrophobicContact CD1-CB 4.05Å; L47-L51 HydrophobicContact CD1-CD1 3.87Å; L47-L51 HydrophobicContact CD1-CG 4.18Å; L47-L51 HydrophobicContact CD2-CD1 3.98Å; L47-L51 HydrophobicContact CG-CD1 4.43Å; L47-F58 HydrophobicContact CD1-CB 3.89Å; L47-F58 WeakPolarHBondContact CD1-O 3.21Å; L47-I59 WeakPolarHBondContact CB-O 3.42Å; L47-I59 PolarHBondContact N-O 3.26Å; L47-Y63 HydrophobicContact CD2-CE2 4.16Å; L47-Y63 WeakPolarHBondContact CD2-OH 3.4Å
48P94.6Very high93.7Very high107 Ų10792.7 Ų92.770%0.69547%0.466SS*.EExtended strand (participates in β ladder)trans-61.9-22.9179.524.3-33.6000113
49F95.1Very high93.7Very high134 Ų13495.4 Ų95.459%0.58848%0.477SS*.EExtended strand (participates in β ladder)trans-151.9163.4174.257.2-86.6000110L47 L51L47-F49 WeakPolarHBondContact CB-O 3.42Å; L47-F49 PolarHBondContact O-N 2.79Å; L47-F49 VanDerWaalsContact O-N 3.11Å; F49-L51 HydrophobicContact CD2-CD2 4.11Å; F49-L51 HydrophobicContact CD2-CG 4.37Å; F49-L51 HydrophobicContact CE2-CD2 3.31Å; F49-L51 HydrophobicContact CE2-CG 3.99Å; F49-L51 HydrophobicContact CZ-CD2 3.79Å; F49-L51 HydrophobicContact CZ-CG 4.48Å; F49-L51 PolarHBondContact O-N 2.95Å; F49-L51 VanDerWaalsContact O-N 3.15Å
50K93.9Very high93.7Very high153 Ų15392.2 Ų92.267%0.66546%0.462SS*.EExtended strand (participates in β ladder)trans-65.2113.9178-64.3-174.8178.5178.20110.1I59K50-I59 HydrophobicContact CG-CG1 4.24Å
51L93.6Very high93.7Very high29 Ų2990.1 Ų90.115%0.15245%0.447CS..EExtended strand (participates in β ladder)trans-91.1126.9173.7-75.1170.9000109.5L47 F49 T57 F58 I89L47-L51 HydrophobicContact CD1-CB 4.05Å; L47-L51 HydrophobicContact CD1-CD1 3.87Å; L47-L51 HydrophobicContact CD1-CG 4.18Å; L47-L51 HydrophobicContact CD2-CD1 3.98Å; L47-L51 HydrophobicContact CG-CD1 4.43Å; F49-L51 HydrophobicContact CD2-CD2 4.11Å; F49-L51 HydrophobicContact CD2-CG 4.37Å; F49-L51 HydrophobicContact CE2-CD2 3.31Å; F49-L51 HydrophobicContact CE2-CG 3.99Å; F49-L51 HydrophobicContact CZ-CD2 3.79Å; F49-L51 HydrophobicContact CZ-CG 4.48Å; F49-L51 PolarHBondContact O-N 2.95Å; F49-L51 VanDerWaalsContact O-N 3.15Å; L51-T57 CarbonylContact O-C 3.42Å; L51-T57 WeakPolarHBondContact O-CA 3.5Å; L51-F58 PolarHBondContact N-O 3.29Å; L51-F58 PolarHBondContact O-N 2.84Å; L51-I89 HydrophobicContact CB-CG2 3.61Å; L51-I89 HydrophobicContact CD1-CG2 3.67Å; L51-I89 HydrophobicContact CG-CG2 4.24Å
52K91.9Very high93.7Very high174 Ų17486.5 Ų86.576%0.75742%0.421SS*.EExtended strand (participates in β ladder)trans-93.8128.8170.6-60.4-162.4174.5178.10108.6T57K52-T57 HydrophobicContact CD-CG2 4.16Å; K52-T57 HydrophobicContact CG-CG2 3.82Å
53K90.1Very high93.8Very high23 Ų2384.8 Ų84.810%0.141%0.41CS..EExtended strand (participates in β ladder)trans-134.8125.5167.6-177.1173.3179.6-170.10109.1Q55 M56 F58 D85 S86 I88K53-Q55 PolarHBondContact O-N 2.52Å; K53-M56 PolarHBondContact N-O 3.12Å; K53-M56 PolarHBondContact O-N 2.6Å; K53-M56 VanDerWaalsContact O-N 3.09Å; K53-M56 VanDerWaalsContact O-O 3.05Å; K53-F58 HydrophobicContact CB-CD2 4.31Å; K53-F58 HydrophobicContact CB-CE2 4.05Å; K53-D85 PolarHBondContact NZ-O 3.31Å; K53-S86 PolarHBondContact NZ-O 2.83Å; K53-I88 VanDerWaalsContact CD-O 3.3Å; K53-I88 WeakPolarHBondContact CD-O 3.34Å; K53-I88 WeakPolarHBondContact CE-O 3.48Å; K53-I88 PolarHBondContact NZ-O 2.74Å
54E87Confident94Very high128 Ų12883.5 Ų83.560%0.59840%0.397SS*.THydrogen-bonded Turntrans54.2-125.7-171.5-59.5158.1-171.500109.7
55Q89.2Confident94Very high199 Ų19978.8 Ų78.893%0.9338%0.38SS*.THydrogen-bonded Turntrans-94-0.6179.8-61.5178.63.900113.3K53K53-Q55 PolarHBondContact O-N 2.52Å
56M91.5Very high94.1Very high115 Ų11571.8 Ų71.857%0.56735%0.354SS*.EExtended strand (participates in β ladder)trans-108.5145.1-176.3-69.6179.7177.100111.8K53 F58K53-M56 PolarHBondContact N-O 3.12Å; K53-M56 PolarHBondContact O-N 2.6Å; K53-M56 VanDerWaalsContact O-N 3.09Å; K53-M56 VanDerWaalsContact O-O 3.05Å; M56-F58 HydrophobicContact CB-CE2 3.73Å; M56-F58 HydrophobicContact CB-CZ 3.65Å; M56-F58 HydrophobicContact SD-CZ 4.18Å
57T93.6Very high94.1Very high84 Ų8468.7 Ų68.752%0.51534%0.336SS..EExtended strand (participates in β ladder)trans-109.5125.6173.564.40000109.8L51 K52L51-T57 CarbonylContact O-C 3.42Å; L51-T57 WeakPolarHBondContact O-CA 3.5Å; K52-T57 HydrophobicContact CD-CG2 4.16Å; K52-T57 HydrophobicContact CG-CG2 3.82Å
58F94.9Very high94.1Very high20 Ų2068.1 Ų68.19%0.08833%0.333CS..EExtended strand (participates in β ladder)trans-103.7131.5179.9-60.5-80000109.9K11 P12 L47 L51 K53 M56 I89K11-F58 HydrophobicContact CB-CE1 4.32Å; K11-F58 HydrophobicContact CD-CE1 4.04Å; K11-F58 HydrophobicContact CD-CZ 3.75Å; K11-F58 VanDerWaalsContact CE-CZ 3.43Å; K11-F58 HydrophobicContact CG-CD1 4.41Å; K11-F58 HydrophobicContact CG-CE1 3.73Å; K11-F58 HydrophobicContact CG-CE2 4.39Å; K11-F58 HydrophobicContact CG-CZ 3.74Å; P12-F58 HydrophobicContact CG-CD1 4.3Å; L47-F58 HydrophobicContact CD1-CB 3.89Å; L47-F58 WeakPolarHBondContact CD1-O 3.21Å; L51-F58 PolarHBondContact N-O 3.29Å; L51-F58 PolarHBondContact O-N 2.84Å; K53-F58 HydrophobicContact CB-CD2 4.31Å; K53-F58 HydrophobicContact CB-CE2 4.05Å; M56-F58 HydrophobicContact CB-CE2 3.73Å; M56-F58 HydrophobicContact CB-CZ 3.65Å; M56-F58 HydrophobicContact SD-CZ 4.18Å; F58-I89 HydrophobicContact CB-CD1 3.58Å; F58-I89 HydrophobicContact CB-CG1 4.38Å; F58-I89 HydrophobicContact CB-CG2 4.5Å; F58-I89 HydrophobicContact CD1-CD1 3.85Å; F58-I89 HydrophobicContact CD1-CG1 4.38Å; F58-I89 HydrophobicContact CD2-CD1 3.96Å; F58-I89 HydrophobicContact CD2-CG1 3.85Å; F58-I89 HydrophobicContact CD2-CG2 4.21Å; F58-I89 HydrophobicContact CE2-CG1 4.32Å; F58-I89 HydrophobicContact CG-CD1 3.48Å; F58-I89 VanDerWaalsContact CG-CD1 3.48Å; F58-I89 HydrophobicContact CG-CG1 3.91Å
59I95.7Very high94.1Very high96 Ų9664.5 Ų64.549%0.49231%0.31SS..EExtended strand (participates in β ladder)trans-103.9-25.2172-57.4172.1000109.7L47 K50L47-I59 WeakPolarHBondContact CB-O 3.42Å; L47-I59 PolarHBondContact N-O 3.26Å; K50-I59 HydrophobicContact CG-CG1 4.24Å
60T95.9Very high93.9Very high28 Ų2858.1 Ų58.117%0.17228%0.282CS..EExtended strand (participates in β ladder)trans-125.8156.6-178.161.20000110.7Y44 D46Y44-T60 HydrophobicContact CE1-CG2 4.41Å; Y44-T60 VanDerWaalsContact CZ-CB 3.49Å; Y44-T60 WeakPolarHBondContact OH-CB 3.41Å; Y44-T60 WeakPolarHBondContact OH-CG2 3.15Å; Y44-T60 PolarHBondContact OH-OG1 3.34Å; D46-T60 VanDerWaalsContact OD1-CG2 3.26Å; D46-T60 WeakPolarHBondContact OD1-CG2 3.3Å
61G95.5Very high93.9Very high0 Ų052.8 Ų52.80%026%0.263CS..EExtended strand (participates in β ladder)trans-161.6158.7179.200000113M10 R45M10-G61 WeakPolarHBondContact O-CA 3.33Å; R45-G61 PolarHBondContact N-O 3.11Å; R45-G61 PolarHBondContact O-N 3.26Å; R45-G61 VanDerWaalsContact O-O 3.09Å
62S96.1Very high93.8Very high8 Ų855.3 Ų55.36%0.05628%0.279CS..EExtended strand (participates in β ladder)trans-95.4122.9173.3-66.90000109.3M10M10-S62 PolarHBondContact N-O 3.36Å; M10-S62 PolarHBondContact O-N 3.31Å
63Y96.6Very high93.7Very high40 Ų4057.5 Ų57.516%0.15728%0.283CS..EExtended strand (participates in β ladder)trans-94.7127.6-179.9-73.2-99.5000110.5I9 L42 G43 R45 L47I9-Y63 HydrophobicContact CD1-CD1 4.21Å; I9-Y63 HydrophobicContact CD1-CE1 3.53Å; I9-Y63 HydrophobicContact CG1-CD1 3.88Å; I9-Y63 HydrophobicContact CG1-CE1 3.73Å; L42-Y63 PolarHBondContact N-O 2.81Å; G43-Y63 PolarHBondContact O-N 2.84Å; R45-Y63 HydrophobicContact CB-CD2 4.07Å; R45-Y63 HydrophobicContact CB-CE2 3.92Å; R45-Y63 HydrophobicContact CG-CD2 4.47Å; L47-Y63 HydrophobicContact CD2-CE2 4.16Å; L47-Y63 WeakPolarHBondContact CD2-OH 3.4Å
64V96.7Very high93.8Very high2 Ų258.7 Ų58.71%0.01229%0.29CS..EExtended strand (participates in β ladder)trans-132.7131.9177.8-178.50000109.3L8 L22 L39 V66L8-V64 HydrophobicContact CB-CB 4.49Å; L8-V64 PolarHBondContact N-O 3.37Å; L8-V64 PolarHBondContact O-N 2.9Å; L22-V64 HydrophobicContact CD1-CG2 4.19Å; L22-V64 HydrophobicContact CD2-CB 4.12Å; L22-V64 HydrophobicContact CD2-CG1 3.78Å; L22-V64 HydrophobicContact CD2-CG2 4.01Å; L39-V64 HydrophobicContact CD1-CG1 3.63Å; V64-V66 HydrophobicContact CG1-CG2 4.34Å
65L97.1Very high94.1Very high35 Ų3553 Ų5318%0.18327%0.265CS..EExtended strand (participates in β ladder)trans-110.6120.6176.7177.2133.7000109V7 S40 L42 Q67V7-L65 HydrophobicContact CG2-CD1 4.24Å; S40-L65 PolarHBondContact N-O 2.91Å; S40-L65 PolarHBondContact O-N 2.84Å; S40-L65 WeakPolarHBondContact OG-CD2 3.26Å; S40-L65 PolarHBondContact OG-O 3.35Å; L42-L65 HydrophobicContact CD1-CB 4.32Å; L42-L65 HydrophobicContact CG-CB 4.48Å; L65-Q67 HydrophobicContact CD2-CG 3.58Å
66V96.5Very high94.2Very high1 Ų149.8 Ų49.81%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-111.2118178.4-1710000107.6V6 L8 L29 I36 L39 V64V6-V66 HydrophobicContact CB-CB 4.23Å; V6-V66 PolarHBondContact N-O 3.27Å; V6-V66 PolarHBondContact O-N 3.01Å; L8-V66 HydrophobicContact CD1-CG2 3.93Å; L8-V66 HydrophobicContact CG-CG2 4.47Å; L29-V66 HydrophobicContact CD1-CG1 4.04Å; I36-V66 HydrophobicContact CG1-CG1 4.49Å; I36-V66 HydrophobicContact CG2-CG1 4.03Å; L39-V66 HydrophobicContact CD1-CB 4.41Å; L39-V66 HydrophobicContact CD1-CG2 3.64Å; V64-V66 HydrophobicContact CG1-CG2 4.34Å
67Q95.7Very high94.3Very high54 Ų5450.9 Ų50.925%0.25225%0.251SS..EExtended strand (participates in β ladder)trans-96.3123174.8-56.5-165.8-57.200108.8F3 D5 T37 S38 L65F3-Q67 HydrophobicContact CE2-CB 4.23Å; F3-Q67 HydrophobicContact CZ-CB 3.73Å; F3-Q67 HydrophobicContact CZ-CG 4.3Å; D5-Q67 WeakPolarHBondContact OD1-CG 3.09Å; D5-Q67 PolarHBondContact OD1-NE2 3.14Å; T37-Q67 PolarHBondContact N-O 2.95Å; S38-Q67 PolarHBondContact N-O 2.96Å; S38-Q67 PolarHBondContact O-N 3.49Å; S38-Q67 WeakPolarHBondContact OG-CB 3.38Å; S38-Q67 VanDerWaalsContact OG-CD 3.25Å; S38-Q67 WeakPolarHBondContact OG-CG 3.5Å; S38-Q67 PolarHBondContact OG-OE1 3.35Å; L65-Q67 HydrophobicContact CD2-CG 3.58Å
68C94.6Very high94.3Very high0 Ų046.9 Ų46.90%023%0.226CC..EExtended strand (participates in β ladder)trans-146.9147.5-177.3620000113.6Y4 A34 V35 I36Y4-C68 PolarHBondContact N-O 2.66Å; Y4-C68 PolarHBondContact O-N 3.3Å; A34-C68 HydrophobicContact CB-CB 4.44Å; V35-C68 CarbonylContact O-C 3.51Å; V35-C68 WeakPolarHBondContact O-CA 3.38Å; V35-C68 WeakPolarHBondContact O-CB 3.38Å; I36-C68 HydrophobicContact CG1-CB 4.38Å
69C94.4Very high94.2Very high32 Ų3247.3 Ų47.322%0.21623%0.233CC..EExtended strand (participates in β ladder)trans-92.7126.4167.6-64.80000109.3M1 P2 A34 V35M1-C69 HydrophobicContact CB-CB 4.35Å; P2-C69 WeakPolarHBondContact O-CA 3.5Å; A34-C69 CarbonylContact C-O 3.58Å; A34-C69 VanDerWaalsContact CA-O 3.31Å; A34-C69 WeakPolarHBondContact CA-O 3.42Å; V35-C69 HydrophobicContact CB-CB 4.41Å; V35-C69 PolarHBondContact N-O 2.8Å; V35-C69 PolarHBondContact O-N 3.4Å
70M92.5Very high94.1Very high0 Ų044.1 Ų44.10%022%0.224CC..  trans-148.9155.4176.468.5-177.4-49.200111.2P2 Y4 A34 D74 C75 M78 F93P2-M70 WeakPolarHBondContact CD-O 3.47Å; P2-M70 VanDerWaalsContact CG-O 3.31Å; P2-M70 WeakPolarHBondContact CG-O 3.15Å; P2-M70 PolarHBondContact O-N 2.92Å; P2-M70 VanDerWaalsContact O-N 3.11Å; Y4-M70 HydrophobicContact CD2-CG 3.46Å; Y4-M70 VanDerWaalsContact CD2-CG 3.46Å; Y4-M70 HydrophobicContact CD2-SD 4.28Å; Y4-M70 HydrophobicContact CE2-CG 3.63Å; Y4-M70 WeakPolarHBondContact CE2-O 3.46Å; Y4-M70 HydrophobicContact CG-CG 4.4Å; A34-M70 HydrophobicContact CB-CB 3.85Å; M70-D74 HydrophobicContact CE-CB 3.95Å; M70-C75 HydrophobicContact CE-CB 4.05Å; M70-C75 VanDerWaalsContact CE-N 3.26Å; M70-C75 HydrophobicContact CG-CB 4.11Å; M70-C75 HydrophobicContact SD-CB 3.73Å; M70-M78 HydrophobicContact CE-CB 4.08Å; M70-M78 HydrophobicContact CE-CG 3.54Å; M70-F93 HydrophobicContact SD-CE1 4.41Å
71P92.6Very high94Very high41 Ų4145.1 Ų45.127%0.26623%0.227SC..  trans-70.8149.5173.931.2-36.1000111.2R73 D74 C75P71-R73 PolarHBondContact O-N 3.02Å; P71-D74 HydrophobicContact CG-CB 3.95Å; P71-D74 WeakPolarHBondContact CG-OD2 3.48Å; P71-D74 PolarHBondContact O-N 3.23Å; P71-D74 VanDerWaalsContact O-N 3.15Å; P71-C75 PolarHBondContact O-N 3.23Å; P71-C75 VanDerWaalsContact O-N 3.11Å
72V91.3Very high94Very high81 Ų8145.2 Ų45.249%0.49123%0.227SC..Hα-helixtrans-57.4-37.3-175.7-175.70000112.5P2 D74 C75 L76P2-V72 HydrophobicContact CG-CG2 3.66Å; V72-D74 PolarHBondContact O-N 3.45Å; V72-C75 WeakPolarHBondContact O-CB 3.33Å; V72-C75 PolarHBondContact O-N 3.05Å; V72-L76 PolarHBondContact O-N 3.3Å
73R91.2Very high93.8Very high221 Ų22149.2 Ų49.283%0.83425%0.251SS*.Hα-helixtrans-62-43.9-179.9-65-176.8-179.4-178.3-0111.8P71P71-R73 PolarHBondContact O-N 3.02Å
74D92.3Very high93.6Very high47 Ų4757.2 Ų57.225%0.25128%0.281SS..Hα-helixtrans-76.5-28.1-179.1-62-38.1000111.3M70 P71 V72 L76 R77 M78M70-D74 HydrophobicContact CE-CB 3.95Å; P71-D74 HydrophobicContact CG-CB 3.95Å; P71-D74 WeakPolarHBondContact CG-OD2 3.48Å; P71-D74 PolarHBondContact O-N 3.23Å; P71-D74 VanDerWaalsContact O-N 3.15Å; V72-D74 PolarHBondContact O-N 3.45Å; D74-L76 PolarHBondContact O-N 2.84Å; D74-R77 PolarHBondContact O-N 3.13Å; D74-M78 WeakPolarHBondContact O-CB 3.21Å; D74-M78 WeakPolarHBondContact O-CG 3.44Å; D74-M78 PolarHBondContact O-N 2.9Å
75C92.3Very high93.5Very high10 Ų1057.7 Ų57.77%0.06828%0.284CS..Hα-helixtrans-57.5-47.6175.4-176.30000112.3Y4 M70 P71 V72 R77 M78 A79Y4-C75 HydrophobicContact CE1-CB 4.4Å; Y4-C75 VanDerWaalsContact CE1-SG 3.59Å; Y4-C75 HydrophobicContact CE2-CB 4.18Å; M70-C75 HydrophobicContact CE-CB 4.05Å; M70-C75 VanDerWaalsContact CE-N 3.26Å; M70-C75 HydrophobicContact CG-CB 4.11Å; M70-C75 HydrophobicContact SD-CB 3.73Å; P71-C75 PolarHBondContact O-N 3.23Å; P71-C75 VanDerWaalsContact O-N 3.11Å; V72-C75 WeakPolarHBondContact O-CB 3.33Å; V72-C75 PolarHBondContact O-N 3.05Å; C75-R77 VanDerWaalsContact C-N 3.35Å; C75-R77 PolarHBondContact O-N 3.15Å; C75-M78 PolarHBondContact O-N 2.85Å; C75-A79 WeakPolarHBondContact O-CB 3.21Å; C75-A79 PolarHBondContact O-N 3.49Å
76L91.1Very high93.3Very high131 Ų13158.3 Ų58.369%0.68629%0.291SS*.Hα-helixtrans-63.1-41.3178-68.9171000112.1V72 D74 G80V72-L76 PolarHBondContact O-N 3.3Å; D74-L76 PolarHBondContact O-N 2.84Å; L76-G80 PolarHBondContact O-N 3.2Å
77R92.9Very high93.2Very high138 Ų13859.6 Ų59.652%0.52130%0.298SS..Hα-helixtrans-63.9-47.7176.1178.4179.7161.5-167.5-7.5111.1N32 D74 C75 A79 G80 E81N32-R77 PolarHBondContact OD1-NH1 3.49Å; N32-R77 PolarHBondContact OD1-NH2 2.99Å; D74-R77 PolarHBondContact O-N 3.13Å; C75-R77 VanDerWaalsContact C-N 3.35Å; C75-R77 PolarHBondContact O-N 3.15Å; R77-A79 PolarHBondContact O-N 2.94Å; R77-G80 PolarHBondContact O-N 2.98Å; R77-G80 VanDerWaalsContact O-N 3.16Å; R77-E81 IonicContact CZ-OE1 2.76Å; R77-E81 IonicContact NE-OE1 2.8Å; R77-E81 PolarHBondContact NE-OE1 2.79Å; R77-E81 IonicContact NH2-OE1 3.18Å; R77-E81 PolarHBondContact NH2-OE1 3Å; R77-E81 PolarHBondContact O-N 3.16Å
78M93.9Very high93.2Very high0 Ų057.1 Ų57.10%029%0.286CS..Hα-helixtrans-60.1-47.4178.5-71.4-48.9-65.600111.2K28 L29 N32 M70 D74 C75 G80 E81 F82 F93K28-M78 HydrophobicContact CB-CE 3.97Å; L29-M78 HydrophobicContact CD2-CE 4.06Å; L29-M78 HydrophobicContact CD2-CG 4.46Å; L29-M78 HydrophobicContact CG-CE 4.27Å; N32-M78 HydrophobicContact CB-CG 4.24Å; N32-M78 HydrophobicContact CB-SD 3.57Å; N32-M78 VanDerWaalsContact CB-SD 3.57Å; N32-M78 PolarHBondContact ND2-SD 3.42Å; M70-M78 HydrophobicContact CE-CB 4.08Å; M70-M78 HydrophobicContact CE-CG 3.54Å; D74-M78 WeakPolarHBondContact O-CB 3.21Å; D74-M78 WeakPolarHBondContact O-CG 3.44Å; D74-M78 PolarHBondContact O-N 2.9Å; C75-M78 PolarHBondContact O-N 2.85Å; M78-G80 PolarHBondContact O-N 2.82Å; M78-E81 CarbonylContact O-C 3.6Å; M78-E81 WeakPolarHBondContact O-CA 3.38Å; M78-E81 PolarHBondContact O-N 2.9Å; M78-F82 HydrophobicContact CB-CD2 4.1Å; M78-F82 HydrophobicContact CB-CE2 4.23Å; M78-F82 HydrophobicContact CE-CD2 3.87Å; M78-F82 HydrophobicContact CE-CE2 3.24Å; M78-F82 HydrophobicContact CE-CZ 4.05Å; M78-F82 WeakPolarHBondContact O-CB 3.31Å; M78-F82 WeakPolarHBondContact O-CD2 3.45Å; M78-F82 PolarHBondContact O-N 2.88Å; M78-F93 HydrophobicContact CB-CE1 4.29Å; M78-F93 HydrophobicContact CB-CZ 4.22Å
79A93.4Very high93.2Very high29 Ų2957.9 Ų57.924%0.2429%0.29CS..Hα-helixtrans-53.7-41.1176.600000111.9C75 R77 T83 F93C75-A79 WeakPolarHBondContact O-CB 3.21Å; C75-A79 PolarHBondContact O-N 3.49Å; R77-A79 PolarHBondContact O-N 2.94Å; A79-T83 VanDerWaalsContact O-CG2 3.26Å; A79-T83 WeakPolarHBondContact O-CG2 3.19Å; A79-T83 PolarHBondContact O-N 2.8Å; A79-T83 VanDerWaalsContact O-N 3.13Å; A79-T83 PolarHBondContact O-OG1 3.33Å; A79-F93 HydrophobicContact CB-CD2 3.78Å; A79-F93 HydrophobicContact CB-CE2 3.96Å; A79-F93 HydrophobicContact CB-CG 4.4Å
80G93.3Very high93.2Very high28 Ų2860.8 Ų60.829%0.28930%0.3SS..Hα-helixtrans-65.2-39.7172.600000114.2L76 R77 M78 T83 R84L76-G80 PolarHBondContact O-N 3.2Å; R77-G80 PolarHBondContact O-N 2.98Å; R77-G80 VanDerWaalsContact O-N 3.16Å; M78-G80 PolarHBondContact O-N 2.82Å; G80-T83 PolarHBondContact O-OG1 3.26Å; G80-R84 WeakPolarHBondContact O-CG 3.48Å
81E94.2Very high93.3Very high49 Ų4961.5 Ų61.523%0.22931%0.305CS..Hα-helixtrans-69.1-38176.6-68.8-179.4-169.300112.4R77 M78 R84 D85R77-E81 IonicContact CZ-OE1 2.76Å; R77-E81 IonicContact NE-OE1 2.8Å; R77-E81 PolarHBondContact NE-OE1 2.79Å; R77-E81 IonicContact NH2-OE1 3.18Å; R77-E81 PolarHBondContact NH2-OE1 3Å; R77-E81 PolarHBondContact O-N 3.16Å; M78-E81 CarbonylContact O-C 3.6Å; M78-E81 WeakPolarHBondContact O-CA 3.38Å; M78-E81 PolarHBondContact O-N 2.9Å; E81-R84 PolarHBondContact O-N 3.25Å; E81-D85 PolarHBondContact O-N 3.5Å
82F95Very high93.4Very high2 Ų265.6 Ų65.61%0.00932%0.316CS..Hα-helixtrans-70.2-36.9-179.7-85.8-77000113L8 C25 L29 M78 R84 D85 I88 F93L8-F82 HydrophobicContact CD1-CE1 4.31Å; L8-F82 HydrophobicContact CD2-CD1 3.92Å; L8-F82 HydrophobicContact CD2-CE1 4.02Å; C25-F82 HydrophobicContact CB-CE1 3.74Å; C25-F82 HydrophobicContact CB-CZ 4.15Å; L29-F82 HydrophobicContact CD1-CZ 4.05Å; L29-F82 HydrophobicContact CD2-CE2 3.8Å; L29-F82 HydrophobicContact CD2-CZ 4.16Å; L29-F82 HydrophobicContact CG-CE2 3.94Å; L29-F82 HydrophobicContact CG-CZ 3.8Å; M78-F82 HydrophobicContact CB-CD2 4.1Å; M78-F82 HydrophobicContact CB-CE2 4.23Å; M78-F82 HydrophobicContact CE-CD2 3.87Å; M78-F82 HydrophobicContact CE-CE2 3.24Å; M78-F82 HydrophobicContact CE-CZ 4.05Å; M78-F82 WeakPolarHBondContact O-CB 3.31Å; M78-F82 WeakPolarHBondContact O-CD2 3.45Å; M78-F82 PolarHBondContact O-N 2.88Å; F82-R84 PolarHBondContact O-N 3.27Å; F82-D85 PolarHBondContact O-N 2.88Å; F82-I88 HydrophobicContact CD1-CD1 3.35Å; F82-I88 HydrophobicContact CE1-CD1 3.83Å; F82-I88 HydrophobicContact CG-CD1 4.49Å; F82-F93 HydrophobicContact CB-CE2 4.29Å; F82-F93 HydrophobicContact CD2-CE2 4Å; F82-F93 AromaticContact CD2-CZ 3.45Å; F82-F93 HydrophobicContact CD2-CZ 3.45Å; F82-F93 VanDerWaalsContact CD2-CZ 3.45Å; F82-F93 AromaticContact CE2-CZ 3.82Å; F82-F93 HydrophobicContact CE2-CZ 3.82Å; F82-F93 HydrophobicContact CG-CE2 4.31Å; F82-F93 HydrophobicContact CG-CZ 4.15Å
83T92.9Very high93.6Very high92 Ų9263.3 Ų63.356%0.56430%0.3SS*.Hα-helixtrans-63.5-29.7174.254.40000113A79 G80A79-T83 VanDerWaalsContact O-CG2 3.26Å; A79-T83 WeakPolarHBondContact O-CG2 3.19Å; A79-T83 PolarHBondContact O-N 2.8Å; A79-T83 VanDerWaalsContact O-N 3.13Å; A79-T83 PolarHBondContact O-OG1 3.33Å; G80-T83 PolarHBondContact O-OG1 3.26Å
84R92.7Very high93.7Very high208 Ų20857 Ų5779%0.78528%0.28SS*.Hα-helixtrans-82.6-18.4178.1-64.8171.2-174-178.11.5113.8G80 E81 F82 S86G80-R84 WeakPolarHBondContact O-CG 3.48Å; E81-R84 PolarHBondContact O-N 3.25Å; F82-R84 PolarHBondContact O-N 3.27Å; R84-S86 PolarHBondContact O-N 2.81Å
85D93.9Very high93.8Very high13 Ų1360.1 Ų60.17%0.0729%0.292CS..  trans-73.6110.7-175.5-170.3-46.6000110.1R24 K28 K53 E81 F82 D87 I88R24-D85 IonicContact CZ-OD1 3.02Å; R24-D85 IonicContact CZ-OD2 2.93Å; R24-D85 IonicContact NE-OD1 3.27Å; R24-D85 IonicContact NE-OD2 2.88Å; R24-D85 PolarHBondContact NE-OD2 3.11Å; R24-D85 VanDerWaalsContact NE-OD2 3.14Å; R24-D85 IonicContact NH2-OD1 3.53Å; R24-D85 PolarHBondContact NH2-OD1 2.91Å; R24-D85 IonicContact NH2-OD2 3.27Å; R24-D85 PolarHBondContact NH2-OD2 2.86Å; K28-D85 IonicContact NZ-OD2 2.71Å; K28-D85 PolarHBondContact NZ-OD2 2.84Å; K53-D85 PolarHBondContact NZ-O 3.31Å; E81-D85 PolarHBondContact O-N 3.5Å; F82-D85 PolarHBondContact O-N 2.88Å; D85-D87 PolarHBondContact O-N 3.3Å; D85-D87 PolarHBondContact OD1-N 3.45Å; D85-I88 HydrophobicContact CB-CD1 3.94Å; D85-I88 HydrophobicContact CB-CG1 4.4Å; D85-I88 PolarHBondContact O-N 3.34Å; D85-I88 VanDerWaalsContact O-N 3.16Å
86S92.8Very high93.6Very high47 Ų4760.3 Ų60.333%0.32930%0.295SS..THydrogen-bonded Turntrans-48.6-33.1-172.358.20000114.4K11 K53 R84 I88K11-S86 WeakPolarHBondContact CE-O 3.34Å; K11-S86 PolarHBondContact NZ-O 3.49Å; K53-S86 PolarHBondContact NZ-O 2.83Å; R84-S86 PolarHBondContact O-N 2.81Å; S86-I88 VanDerWaalsContact C-N 3.31Å; S86-I88 PolarHBondContact O-N 2.84Å
87D94.2Very high93.3Very high28 Ų2859.6 Ų59.615%0.1529%0.292CS..THydrogen-bonded Turntrans-81.4-12.5-169.1-65.3-13.7000113.5K11 F13 R24 D85K11-D87 WeakPolarHBondContact CG-O 3.37Å; K11-D87 PolarHBondContact N-O 2.82Å; F13-D87 HydrophobicContact CE2-CB 3.73Å; F13-D87 HydrophobicContact CZ-CB 3.77Å; R24-D87 IonicContact CZ-OD2 3.27Å; R24-D87 VanDerWaalsContact CZ-OD2 3.27Å; R24-D87 IonicContact NH1-OD2 3.57Å; R24-D87 PolarHBondContact NH1-OD2 3.43Å; R24-D87 VanDerWaalsContact NH2-CG 3.34Å; R24-D87 IonicContact NH2-OD2 3.14Å; R24-D87 PolarHBondContact NH2-OD2 3.45Å; D85-D87 PolarHBondContact O-N 3.3Å; D85-D87 PolarHBondContact OD1-N 3.45Å
88I95.4Very high92.5Very high3 Ų357.6 Ų57.62%0.01530%0.297CS..EExtended strand (participates in β ladder)trans-105103-174.3-58.6173.5000109.6L8 I9 M10 C25 K53 F82 D85 S86 H90L8-I88 HydrophobicContact CD2-CD1 4.47Å; L8-I88 HydrophobicContact CD2-CG2 4.36Å; I9-I88 CarbonylContact O-C 3.55Å; M10-I88 HydrophobicContact CE-CG1 4.2Å; C25-I88 VanDerWaalsContact SG-CD1 3.55Å; K53-I88 VanDerWaalsContact CD-O 3.3Å; K53-I88 WeakPolarHBondContact CD-O 3.34Å; K53-I88 WeakPolarHBondContact CE-O 3.48Å; K53-I88 PolarHBondContact NZ-O 2.74Å; F82-I88 HydrophobicContact CD1-CD1 3.35Å; F82-I88 HydrophobicContact CE1-CD1 3.83Å; F82-I88 HydrophobicContact CG-CD1 4.49Å; D85-I88 HydrophobicContact CB-CD1 3.94Å; D85-I88 HydrophobicContact CB-CG1 4.4Å; D85-I88 PolarHBondContact O-N 3.34Å; D85-I88 VanDerWaalsContact O-N 3.16Å; S86-I88 VanDerWaalsContact C-N 3.31Å; S86-I88 PolarHBondContact O-N 2.84Å; I88-H90 WeakPolarHBondContact CG2-O 3.49Å; I88-H90 PolarHBondContact O-N 2.95Å
89I94.8Very high91.7Very high16 Ų1664.6 Ų64.68%0.08233%0.334CS..EExtended strand (participates in β ladder)trans-55.8-44.3179.2-57.8170.2000110.6I9 K11 L51 F58I9-I89 HydrophobicContact CG2-CB 4.11Å; I9-I89 HydrophobicContact CG2-CD1 4.29Å; I9-I89 WeakPolarHBondContact O-CA 3.42Å; I9-I89 PolarHBondContact O-N 3.11Å; K11-I89 HydrophobicContact CG-CD1 4.38Å; K11-I89 HydrophobicContact CG-CG1 3.86Å; L51-I89 HydrophobicContact CB-CG2 3.61Å; L51-I89 HydrophobicContact CD1-CG2 3.67Å; L51-I89 HydrophobicContact CG-CG2 4.24Å; F58-I89 HydrophobicContact CB-CD1 3.58Å; F58-I89 HydrophobicContact CB-CG1 4.38Å; F58-I89 HydrophobicContact CB-CG2 4.5Å; F58-I89 HydrophobicContact CD1-CD1 3.85Å; F58-I89 HydrophobicContact CD1-CG1 4.38Å; F58-I89 HydrophobicContact CD2-CD1 3.96Å; F58-I89 HydrophobicContact CD2-CG1 3.85Å; F58-I89 HydrophobicContact CD2-CG2 4.21Å; F58-I89 HydrophobicContact CE2-CG1 4.32Å; F58-I89 HydrophobicContact CG-CD1 3.48Å; F58-I89 VanDerWaalsContact CG-CD1 3.48Å; F58-I89 HydrophobicContact CG-CG1 3.91Å
90H94.1Very high90.7Very high93 Ų9366.5 Ų66.543%0.43135%0.35SS..EExtended strand (participates in β ladder)trans-153.1141.6-180-169.766.1000111.1I9 I88I9-H90 HydrophobicContact CB-CB 4.19Å; I9-H90 HydrophobicContact CD1-CB 4.16Å; I9-H90 HydrophobicContact CG1-CB 4.4Å; I9-H90 PolarHBondContact N-O 3.27Å; I9-H90 PolarHBondContact O-N 3.25Å; I88-H90 WeakPolarHBondContact CG2-O 3.49Å; I88-H90 PolarHBondContact O-N 2.95Å
91S95.2Very high89.9Confident14 Ų1471.2 Ų71.210%0.09837%0.373CS..EExtended strand (participates in β ladder)trans-126.3132.2175.559.50000109.7V7V7-S91 WeakPolarHBondContact O-CA 3.36Å
92Y95.3Very high89Confident127 Ų12774.2 Ų74.250%0.49840%0.396SS..EExtended strand (participates in β ladder)trans-127.9127177.4-176.8-109.6000110.4V6 V7 H94V6-Y92 CarbonylContact C-O 3.59Å; V6-Y92 WeakPolarHBondContact CA-O 3.31Å; V7-Y92 PolarHBondContact N-O 3.03Å; V7-Y92 PolarHBondContact O-N 2.91Å; Y92-H94 HydrophobicContact CD1-CB 4.24Å; Y92-H94 HydrophobicContact CE1-CB 3.74Å
93F94.9Very high87.9Confident33 Ų3381.9 Ų81.915%0.14544%0.437CS..EExtended strand (participates in β ladder)trans-106.5110.7178.5-73.3-102.2000108.5V6 M70 M78 A79 F82V6-F93 HydrophobicContact CB-CD1 4.39Å; V6-F93 HydrophobicContact CB-CE1 4.26Å; V6-F93 HydrophobicContact CG1-CD1 4.13Å; V6-F93 HydrophobicContact CG1-CD2 4.38Å; V6-F93 HydrophobicContact CG1-CE1 3.74Å; V6-F93 HydrophobicContact CG1-CE2 4Å; V6-F93 HydrophobicContact CG1-CG 4.42Å; V6-F93 HydrophobicContact CG1-CZ 3.64Å; V6-F93 HydrophobicContact CG2-CD1 3.48Å; V6-F93 VanDerWaalsContact CG2-CD1 3.48Å; V6-F93 HydrophobicContact CG2-CE1 3.45Å; V6-F93 VanDerWaalsContact CG2-CE1 3.45Å; V6-F93 HydrophobicContact CG2-CG 4.29Å; V6-F93 HydrophobicContact CG2-CZ 4.25Å; M70-F93 HydrophobicContact SD-CE1 4.41Å; M78-F93 HydrophobicContact CB-CE1 4.29Å; M78-F93 HydrophobicContact CB-CZ 4.22Å; A79-F93 HydrophobicContact CB-CD2 3.78Å; A79-F93 HydrophobicContact CB-CE2 3.96Å; A79-F93 HydrophobicContact CB-CG 4.4Å; F82-F93 HydrophobicContact CB-CE2 4.29Å; F82-F93 HydrophobicContact CD2-CE2 4Å; F82-F93 AromaticContact CD2-CZ 3.45Å; F82-F93 HydrophobicContact CD2-CZ 3.45Å; F82-F93 VanDerWaalsContact CD2-CZ 3.45Å; F82-F93 AromaticContact CE2-CZ 3.82Å; F82-F93 HydrophobicContact CE2-CZ 3.82Å; F82-F93 HydrophobicContact CG-CE2 4.31Å; F82-F93 HydrophobicContact CG-CZ 4.15Å
94H94.4Very high87.2Confident90 Ų9082.4 Ų82.442%0.41744%0.441SS..EExtended strand (participates in β ladder)trans-106.2124.4176.6-174.361.4000109.6Y4 D5 Y92 A96Y4-H94 CarbonylContact C-O 3.5Å; Y4-H94 WeakPolarHBondContact CA-O 3.19Å; D5-H94 HydrophobicContact CB-CB 4.41Å; D5-H94 PolarHBondContact N-O 3.21Å; D5-H94 PolarHBondContact O-N 2.98Å; Y92-H94 HydrophobicContact CD1-CB 4.24Å; Y92-H94 HydrophobicContact CE1-CB 3.74Å; H94-A96 PolarHBondContact O-N 3.15Å
95Q93.1Very high86.4Confident111 Ų11181.3 Ų81.352%0.51945%0.445SS..EExtended strand (participates in β ladder)trans-75.8113.4170.3-173.2174.9-22.800108.2Y4Y4-Q95 HydrophobicContact CD1-CB 3.94Å; Y4-Q95 HydrophobicContact CD1-CG 4.42Å; Y4-Q95 HydrophobicContact CE1-CB 3.65Å; Y4-Q95 HydrophobicContact CE1-CG 3.99Å
96A88.7Confident85.6Confident14 Ų1485 Ų8512%0.11647%0.471CS..EExtended strand (participates in β ladder)trans-103.4136178.800000109.4F3 H94 P98F3-A96 HydrophobicContact CD1-CB 3.73Å; F3-A96 HydrophobicContact CE1-CB 4.14Å; F3-A96 PolarHBondContact O-N 2.93Å; F3-A96 VanDerWaalsContact O-O 3.06Å; H94-A96 PolarHBondContact O-N 3.15Å; A96-P98 WeakPolarHBondContact O-CD 2.99Å
97D84.5Confident85.3Confident117 Ų11786.4 Ų86.463%0.62648%0.478SS*.  trans-78117.8173.4-69.6-37.2000108.6N99 A100D97-N99 PolarHBondContact O-N 3.2Å; D97-N99 VanDerWaalsContact O-N 3.13Å; D97-A100 HydrophobicContact CB-CB 4.49Å; D97-A100 WeakPolarHBondContact O-CB 3.42Å; D97-A100 PolarHBondContact O-N 3.42Å; D97-A100 VanDerWaalsContact O-N 3.09Å
98P76.3Confident85Confident96 Ų9691.2 Ų91.262%0.62350%0.503SS*.THydrogen-bonded Turntrans-65.6-21-177.727.4-34.6000112.1F3 A96F3-P98 HydrophobicContact CB-CB 4.33Å; F3-P98 HydrophobicContact CB-CG 4.39Å; A96-P98 WeakPolarHBondContact O-CD 2.99Å
99N76.9Confident84.7Confident147 Ų14794.3 Ų94.379%0.78653%0.529SS*.THydrogen-bonded Turntrans-109.433.4178-61.4-24.9000111.4D97 V101D97-N99 PolarHBondContact O-N 3.2Å; D97-N99 VanDerWaalsContact O-N 3.13Å; N99-V101 PolarHBondContact O-N 2.9Å; N99-V101 VanDerWaalsContact O-N 3.08Å
100A72.4Confident84.4Confident68 Ų6896.5 Ų96.556%0.56254%0.539SS*.PPolyproline II helixtrans-51.9122.2174.400000108.8D97 P102D97-A100 HydrophobicContact CB-CB 4.49Å; D97-A100 WeakPolarHBondContact O-CB 3.42Å; D97-A100 PolarHBondContact O-N 3.42Å; D97-A100 VanDerWaalsContact O-N 3.09Å; A100-P102 WeakPolarHBondContact O-CD 3.45Å; A100-P102 VanDerWaalsContact O-N 3.08Å
101V75.7Confident83.9Confident128 Ų12895.2 Ų95.278%0.77653%0.533SS*.PPolyproline II helixtrans-55.9120.5176.8177.80000106.3N99 L103N99-V101 PolarHBondContact O-N 2.9Å; N99-V101 VanDerWaalsContact O-N 3.08Å; V101-L103 PolarHBondContact O-N 3.11Å; V101-L103 VanDerWaalsContact O-N 3.14Å
102P75.5Confident83.7Confident112 Ų112100.9 Ų100.973%0.72756%0.562SS**PPolyproline II helixtrans-55.4128.5-179.421.5-31.4000107.7A100A100-P102 WeakPolarHBondContact O-CD 3.45Å; A100-P102 VanDerWaalsContact O-N 3.08Å
103L72.9Confident83.6Confident163 Ų16398.9 Ų98.985%0.85356%0.557SS**PPolyproline II helixtrans-54.5133.3176.6-69.4174.4000107.7V101 Q105V101-L103 PolarHBondContact O-N 3.11Å; V101-L103 VanDerWaalsContact O-N 3.14Å; L103-Q105 PolarHBondContact O-N 3.25Å
104P77.1Confident83.5Confident102 Ų102101 Ų10166%0.66257%0.574SS**PPolyproline II helixtrans-55135.2176.923.4-32.3000108.3C106P104-C106 PolarHBondContact O-N 3.49Å; P104-C106 PolarHBondContact O-SG 2.71Å; P104-C106 VanDerWaalsContact O-SG 3.39Å
105Q76.8Confident83.4Confident185 Ų185101.2 Ų101.286%0.86458%0.583SS**  trans-63.398.3178.4-70.6179.8-9.100109L103L103-Q105 PolarHBondContact O-N 3.25Å
106C77Confident83.2Confident90 Ų9099.9 Ų99.961%0.60858%0.583SS**  trans-92110.9174.4-62.30000108.3P104P104-C106 PolarHBondContact O-N 3.49Å; P104-C106 PolarHBondContact O-SG 2.71Å; P104-C106 VanDerWaalsContact O-SG 3.39Å
107T86.3Confident83.4Confident77 Ų77106.2 Ų106.247%0.47260%0.604SS.*  trans-88.1133.5172.9-54.30000108.9A109 E110 E111T107-A109 HydrophobicContact CG2-CB 4.09Å; T107-A109 PolarHBondContact O-N 3.13Å; T107-A109 VanDerWaalsContact O-N 3.11Å; T107-E110 WeakPolarHBondContact O-CB 3.43Å; T107-E110 PolarHBondContact O-N 3.08Å; T107-E111 PolarHBondContact O-N 2.84Å
108L87.8Confident83.7Confident130 Ų130104.5 Ų104.568%0.68159%0.589SS**Hα-helixtrans-52.6-37.5178.9-178.465.7000112.3E110 E111 L112L108-E110 VanDerWaalsContact C-N 3.33Å; L108-E110 PolarHBondContact O-N 3.28Å; L108-E111 PolarHBondContact O-N 3.14Å; L108-L112 HydrophobicContact CD1-CD1 4.26Å; L108-L112 HydrophobicContact CD1-CG 4.3Å; L108-L112 HydrophobicContact CD2-CD1 4.37Å; L108-L112 HydrophobicContact CG-CD1 3.91Å; L108-L112 HydrophobicContact CG-CG 4.34Å; L108-L112 WeakPolarHBondContact O-CG 3.46Å; L108-L112 PolarHBondContact O-N 3.09Å
109A89.2Confident84.3Confident68 Ų68105.4 Ų105.456%0.56258%0.583SS**Hα-helixtrans-61.1-37.4176.600000113.2T107 Q113T107-A109 HydrophobicContact CG2-CB 4.09Å; T107-A109 PolarHBondContact O-N 3.13Å; T107-A109 VanDerWaalsContact O-N 3.11Å; A109-Q113 WeakPolarHBondContact O-CG 3.5Å
110E87.5Confident84.8Confident62 Ų62100.8 Ų100.829%0.2956%0.563SS.*Hα-helixtrans-69.1-37.1176-66-169.6169.300111.3T107 L108 Q113 K119T107-E110 WeakPolarHBondContact O-CB 3.43Å; T107-E110 PolarHBondContact O-N 3.08Å; L108-E110 VanDerWaalsContact C-N 3.33Å; L108-E110 PolarHBondContact O-N 3.28Å; E110-Q113 PolarHBondContact O-N 3.18Å; E110-K119 IonicContact OE1-NZ 2.87Å; E110-K119 PolarHBondContact OE1-NZ 3.31Å; E110-K119 IonicContact OE2-NZ 3.53Å; E110-K119 PolarHBondContact OE2-NZ 2.85Å
111E85.2Confident85.7Confident65 Ų6599.6 Ų99.630%0.30455%0.548SS..Hα-helixtrans-70.3-35.5177.5-70.7-61.4145.400111.7T107 L108 Q113 R118T107-E111 PolarHBondContact O-N 2.84Å; L108-E111 PolarHBondContact O-N 3.14Å; E111-Q113 PolarHBondContact O-N 2.91Å; E111-R118 PolarHBondContact O-NE 2.66Å; E111-R118 PolarHBondContact O-NH2 2.76Å; E111-R118 IonicContact OE2-CZ 2.67Å; E111-R118 IonicContact OE2-NE 3.42Å; E111-R118 PolarHBondContact OE2-NE 3.48Å; E111-R118 IonicContact OE2-NH1 3.91Å; E111-R118 PolarHBondContact OE2-NH1 3.43Å; E111-R118 IonicContact OE2-NH2 2.67Å; E111-R118 PolarHBondContact OE2-NH2 3.37Å
112L91Very high86.4Confident134 Ų13496.9 Ų96.970%0.70253%0.527SS*.THydrogen-bonded Turntrans-78-2.5179.5-69.8174.6000114.4L108L108-L112 HydrophobicContact CD1-CD1 4.26Å; L108-L112 HydrophobicContact CD1-CG 4.3Å; L108-L112 HydrophobicContact CD2-CD1 4.37Å; L108-L112 HydrophobicContact CG-CD1 3.91Å; L108-L112 HydrophobicContact CG-CG 4.34Å; L108-L112 WeakPolarHBondContact O-CG 3.46Å; L108-L112 PolarHBondContact O-N 3.09Å
113Q91.3Very high87.1Confident84 Ų8495.4 Ų95.439%0.39351%0.513SS..SBendtrans-62.5149.5174-68.2-178.5-5.300111.3A109 E110 E111 Y117A109-Q113 WeakPolarHBondContact O-CG 3.5Å; E110-Q113 PolarHBondContact O-N 3.18Å; E111-Q113 PolarHBondContact O-N 2.91Å; Q113-Y117 PolarHBondContact OE1-O 3.39Å
114P93.4Very high87.8Confident79 Ų7992.2 Ų92.251%0.51350%0.496SS..  trans-51.7146.6171.8-24.832.6000111.1V116 Y117 R118P114-V116 PolarHBondContact O-N 3.44Å; P114-Y117 HydrophobicContact CB-CD2 4.12Å; P114-Y117 HydrophobicContact CG-CD2 4.22Å; P114-Y117 PolarHBondContact O-N 3.42Å; P114-R118 PolarHBondContact O-N 2.8Å
115P92.2Very high88.3Confident94 Ų9496.2 Ų96.261%0.6150%0.498SS*.THydrogen-bonded Turntrans-52.2-30.3-170.8-29.734.5000114.8Y117 V121P115-Y117 VanDerWaalsContact C-N 3.3Å; P115-Y117 PolarHBondContact O-N 2.9Å; P115-V121 WeakPolarHBondContact O-CB 3.08Å; P115-V121 WeakPolarHBondContact O-CG1 3.4Å; P115-V121 WeakPolarHBondContact O-CG2 3.05Å
116V90.4Very high88.9Confident83 Ų8394.6 Ų94.650%0.50349%0.488SS..THydrogen-bonded Turntrans-64.1-33.7179.8-178.40000112.6P114P114-V116 PolarHBondContact O-N 3.44Å
117Y91.2Very high89.5Confident146 Ų14699 Ų9957%0.57349%0.493SS*.THydrogen-bonded Turntrans-94.6-20.4-174.7-60.3-68.7000113.4Q113 P114 P115 K119 Q122Q113-Y117 PolarHBondContact OE1-O 3.39Å; P114-Y117 HydrophobicContact CB-CD2 4.12Å; P114-Y117 HydrophobicContact CG-CD2 4.22Å; P114-Y117 PolarHBondContact O-N 3.42Å; P115-Y117 VanDerWaalsContact C-N 3.3Å; P115-Y117 PolarHBondContact O-N 2.9Å; Y117-K119 PolarHBondContact O-N 3.32Å; Y117-Q122 PolarHBondContact O-NE2 3.32Å
118R92Very high89.3Confident82 Ų82101 Ų10131%0.30950%0.497SS..  trans-61.3127.3-179.9-165.8-170.9-88.4-162.9-29.8111.1E111 P114 S120 V121 Q122E111-R118 PolarHBondContact O-NE 2.66Å; E111-R118 PolarHBondContact O-NH2 2.76Å; E111-R118 IonicContact OE2-CZ 2.67Å; E111-R118 IonicContact OE2-NE 3.42Å; E111-R118 PolarHBondContact OE2-NE 3.48Å; E111-R118 IonicContact OE2-NH1 3.91Å; E111-R118 PolarHBondContact OE2-NH1 3.43Å; E111-R118 IonicContact OE2-NH2 2.67Å; E111-R118 PolarHBondContact OE2-NH2 3.37Å; P114-R118 PolarHBondContact O-N 2.8Å; R118-S120 VanDerWaalsContact C-N 3.27Å; R118-S120 WeakPolarHBondContact CD-OG 3.2Å; R118-S120 WeakPolarHBondContact CG-OG 3.42Å; R118-S120 PolarHBondContact O-N 3.39Å; R118-V121 HydrophobicContact CB-CG2 4.19Å; R118-V121 PolarHBondContact O-N 3.28Å; R118-Q122 PolarHBondContact O-N 2.9Å
119K88Confident89Confident115 Ų115104 Ų10450%0.551%0.505SS..Hα-helixtrans-54.5-39.9-179-67.9175-173.2158.70112.8E110 Y117 V121 Q122 N123E110-K119 IonicContact OE1-NZ 2.87Å; E110-K119 PolarHBondContact OE1-NZ 3.31Å; E110-K119 IonicContact OE2-NZ 3.53Å; E110-K119 PolarHBondContact OE2-NZ 2.85Å; Y117-K119 PolarHBondContact O-N 3.32Å; K119-V121 PolarHBondContact O-N 3.45Å; K119-Q122 PolarHBondContact O-N 3.02Å; K119-N123 WeakPolarHBondContact O-CB 3.41Å; K119-N123 PolarHBondContact O-N 3.22Å
120S87.9Confident88.6Confident50 Ų50105.3 Ų105.335%0.3550%0.502SS..Hα-helixtrans-62.2-40.6178.258.30000112.6R118 N123 L124R118-S120 VanDerWaalsContact C-N 3.27Å; R118-S120 WeakPolarHBondContact CD-OG 3.2Å; R118-S120 WeakPolarHBondContact CG-OG 3.42Å; R118-S120 PolarHBondContact O-N 3.39Å; S120-N123 PolarHBondContact O-N 2.86Å; S120-L124 WeakPolarHBondContact O-CG 3.42Å; S120-L124 PolarHBondContact O-N 3.24Å
121V90.8Very high88.5Confident42 Ų42104.6 Ų104.626%0.25551%0.511SS..Hα-helixtrans-70.8-39.2176.1-1800000110.9P115 R118 K119 N123 L124 R125P115-V121 WeakPolarHBondContact O-CB 3.08Å; P115-V121 WeakPolarHBondContact O-CG1 3.4Å; P115-V121 WeakPolarHBondContact O-CG2 3.05Å; R118-V121 HydrophobicContact CB-CG2 4.19Å; R118-V121 PolarHBondContact O-N 3.28Å; K119-V121 PolarHBondContact O-N 3.45Å; V121-N123 VanDerWaalsContact C-N 3.32Å; V121-N123 PolarHBondContact O-N 3.47Å; V121-L124 WeakPolarHBondContact O-CB 3.38Å; V121-L124 PolarHBondContact O-N 2.87Å; V121-R125 WeakPolarHBondContact O-CG 3.35Å; V121-R125 PolarHBondContact O-N 3.06Å
122Q90.8Very high88.5Confident72 Ų72107.5 Ų107.534%0.33653%0.528SS..Hα-helixtrans-61.1-42.4173.5-67.6-176.70.800111.9Y117 R118 K119 R125 K126Y117-Q122 PolarHBondContact O-NE2 3.32Å; R118-Q122 PolarHBondContact O-N 2.9Å; K119-Q122 PolarHBondContact O-N 3.02Å; Q122-R125 PolarHBondContact O-N 3.26Å; Q122-K126 WeakPolarHBondContact O-CG 3.49Å; Q122-K126 PolarHBondContact O-N 2.95Å
123N90.5Very high88.4Confident80 Ų80109.5 Ų109.543%0.42853%0.532SS..Hα-helixtrans-63-42.1175.4-71.7-12.9000111.1K119 S120 V121 K126 Y127K119-N123 WeakPolarHBondContact O-CB 3.41Å; K119-N123 PolarHBondContact O-N 3.22Å; S120-N123 PolarHBondContact O-N 2.86Å; V121-N123 VanDerWaalsContact C-N 3.32Å; V121-N123 PolarHBondContact O-N 3.47Å; N123-K126 PolarHBondContact O-N 3.41Å; N123-Y127 HydrophobicContact CB-CD2 4.11Å; N123-Y127 HydrophobicContact CB-CE2 4.37Å; N123-Y127 WeakPolarHBondContact O-CB 3.44Å; N123-Y127 WeakPolarHBondContact O-CD2 3.18Å; N123-Y127 PolarHBondContact O-N 2.97Å
124L88.1Confident88.3Confident96 Ų96107.6 Ų107.650%0.50353%0.53SS..Hα-helixtrans-59.1-48.6171.8-73.8169.2000111.1S120 V121 K126 Y127 Q128S120-L124 WeakPolarHBondContact O-CG 3.42Å; S120-L124 PolarHBondContact O-N 3.24Å; V121-L124 WeakPolarHBondContact O-CB 3.38Å; V121-L124 PolarHBondContact O-N 2.87Å; L124-K126 VanDerWaalsContact C-N 3.26Å; L124-K126 PolarHBondContact O-N 2.86Å; L124-Y127 PolarHBondContact O-N 3.23Å; L124-Q128 WeakPolarHBondContact O-CA 3.37Å; L124-Q128 WeakPolarHBondContact O-CB 2.86Å; L124-Q128 PolarHBondContact O-N 3.49Å
125R86.9Confident88Confident187 Ų187111 Ų11171%0.70653%0.533SS*.Hα-helixtrans-60.2-34.8179.1-68.4178.895.3-178.67.2113.2V121 Q122V121-R125 WeakPolarHBondContact O-CG 3.35Å; V121-R125 PolarHBondContact O-N 3.06Å; Q122-R125 PolarHBondContact O-N 3.26Å
126K88.7Confident88Confident151 Ų151110.3 Ų110.366%0.65752%0.523SS*.Hα-helixtrans-79.7-45.7-179.3-72.3177.7-179.7178.40113.1Q122 N123 L124Q122-K126 WeakPolarHBondContact O-CG 3.49Å; Q122-K126 PolarHBondContact O-N 2.95Å; N123-K126 PolarHBondContact O-N 3.41Å; L124-K126 VanDerWaalsContact C-N 3.26Å; L124-K126 PolarHBondContact O-N 2.86Å
127Y89.8Confident88.1Confident181 Ų181111.8 Ų111.871%0.7152%0.524SS*.Hα-helixtrans-103.9-16-168.6-57.8-66.8000114N123 L124 K129N123-Y127 HydrophobicContact CB-CD2 4.11Å; N123-Y127 HydrophobicContact CB-CE2 4.37Å; N123-Y127 WeakPolarHBondContact O-CB 3.44Å; N123-Y127 WeakPolarHBondContact O-CD2 3.18Å; N123-Y127 PolarHBondContact O-N 2.97Å; L124-Y127 PolarHBondContact O-N 3.23Å; Y127-K129 PolarHBondContact O-N 3.17Å
128Q83.2Confident88Confident119 Ų119107.5 Ų107.556%0.55652%0.519SS*.  trans-72117.6-178.2-169.4175.212.800110.8L124 L130L124-Q128 WeakPolarHBondContact O-CA 3.37Å; L124-Q128 WeakPolarHBondContact O-CB 2.86Å; L124-Q128 PolarHBondContact O-N 3.49Å; Q128-L130 PolarHBondContact O-N 3.23Å
129K80.4Confident88.1Confident193 Ų193111 Ų11184%0.83954%0.537SS*.  trans-71.1109.5168.1-66.7-177.4-179177.70108.5Y127 G131Y127-K129 PolarHBondContact O-N 3.17Å; K129-G131 PolarHBondContact O-N 3.47Å
130L81.4Confident88.4Confident96 Ų96112.1 Ų112.150%0.50354%0.541SS..  trans-64.2130.2168.6-70.7169.3000109.6Q128 A134 R135Q128-L130 PolarHBondContact O-N 3.23Å; L130-A134 HydrophobicContact CB-CB 4.48Å; L130-A134 HydrophobicContact CD2-CB 4.33Å; L130-R135 HydrophobicContact CB-CG 3.81Å; L130-R135 PolarHBondContact O-NE 3.3Å
131G85.3Confident88.8Confident47 Ų47117.6 Ų117.649%0.48555%0.554SS.*  trans-59.6158.8172.400000112.2K129 F133 A134 R135K129-G131 PolarHBondContact O-N 3.47Å; G131-F133 VanDerWaalsContact C-N 3.34Å; G131-F133 PolarHBondContact O-N 2.91Å; G131-A134 PolarHBondContact O-N 3.4Å; G131-A134 VanDerWaalsContact O-N 3.17Å; G131-R135 PolarHBondContact O-N 3.47Å
132L86.2Confident88.9Confident127 Ų127118.1 Ų118.167%0.66556%0.563SS**Hα-helixtrans-54.7-46.6-175-176.268000112.5A134 R135 I136L132-A134 PolarHBondContact O-N 3.23Å; L132-R135 WeakPolarHBondContact O-CB 3.35Å; L132-R135 PolarHBondContact O-N 3.47Å; L132-I136 HydrophobicContact CD1-CD1 4.45Å; L132-I136 HydrophobicContact CG-CD1 4.02Å; L132-I136 WeakPolarHBondContact O-CG1 3.47Å; L132-I136 PolarHBondContact O-N 3.45Å
133F88.6Confident89Confident176 Ų176117.6 Ų117.677%0.77257%0.565SS**Hα-helixtrans-61-44.1179-72.3-73.4000112.8G131 R135 I136 Q137G131-F133 VanDerWaalsContact C-N 3.34Å; G131-F133 PolarHBondContact O-N 2.91Å; F133-R135 VanDerWaalsContact C-N 3.3Å; F133-R135 PolarHBondContact O-N 3.17Å; F133-I136 PolarHBondContact O-N 3.37Å; F133-Q137 WeakPolarHBondContact O-CB 3.35Å; F133-Q137 PolarHBondContact O-N 3.19Å
134A88.5Confident89.2Confident43 Ų43118.2 Ų118.236%0.35557%0.568SS.*Hα-helixtrans-62.4-39.4177.700000111.3L130 G131 L132 Q137 A138L130-A134 HydrophobicContact CB-CB 4.48Å; L130-A134 HydrophobicContact CD2-CB 4.33Å; G131-A134 PolarHBondContact O-N 3.4Å; G131-A134 VanDerWaalsContact O-N 3.17Å; L132-A134 PolarHBondContact O-N 3.23Å; A134-Q137 PolarHBondContact O-N 3.07Å; A134-A138 VanDerWaalsContact O-CB 3.26Å; A134-A138 WeakPolarHBondContact O-CB 3.49Å; A134-A138 PolarHBondContact O-N 3.21Å
135R86.8Confident89.4Confident151 Ų151119.5 Ų119.557%0.5758%0.575SS**Hα-helixtrans-63-45.2174.2-71.5178.2164.9-175.4-4.8112.2L130 G131 L132 F133 A138 K139L130-R135 HydrophobicContact CB-CG 3.81Å; L130-R135 PolarHBondContact O-NE 3.3Å; G131-R135 PolarHBondContact O-N 3.47Å; L132-R135 WeakPolarHBondContact O-CB 3.35Å; L132-R135 PolarHBondContact O-N 3.47Å; F133-R135 VanDerWaalsContact C-N 3.3Å; F133-R135 PolarHBondContact O-N 3.17Å; R135-A138 PolarHBondContact O-N 3.46Å; R135-K139 WeakPolarHBondContact O-CB 3.49Å; R135-K139 PolarHBondContact O-N 3.11Å
136I91.9Very high89.5Confident80 Ų80115.9 Ų115.941%0.4157%0.573SS.*Hα-helixtrans-62.1-45.9178.2-67.1166.9000110.4L132 F133 K139 K140L132-I136 HydrophobicContact CD1-CD1 4.45Å; L132-I136 HydrophobicContact CG-CD1 4.02Å; L132-I136 WeakPolarHBondContact O-CG1 3.47Å; L132-I136 PolarHBondContact O-N 3.45Å; F133-I136 PolarHBondContact O-N 3.37Å; I136-K139 PolarHBondContact O-N 3.05Å; I136-K140 HydrophobicContact CG2-CD 4.47Å; I136-K140 WeakPolarHBondContact O-CG 3.26Å; I136-K140 PolarHBondContact O-N 3.19Å
137Q92.9Very high89.4Confident114 Ų114117.9 Ų117.953%0.53358%0.576SS.*Hα-helixtrans-67.2-40.3-179.1-165.6176.41100112.1F133 A134 K140 R141F133-Q137 WeakPolarHBondContact O-CB 3.35Å; F133-Q137 PolarHBondContact O-N 3.19Å; A134-Q137 PolarHBondContact O-N 3.07Å; Q137-K140 PolarHBondContact O-N 3.32Å; Q137-R141 PolarHBondContact O-N 3.41Å
138A89.9Confident89.4Confident55 Ų55113 Ų11346%0.45557%0.573SS.*Hα-helixtrans-61.9-43.117400000111.6A134 R135 R141 A142A134-A138 VanDerWaalsContact O-CB 3.26Å; A134-A138 WeakPolarHBondContact O-CB 3.49Å; A134-A138 PolarHBondContact O-N 3.21Å; R135-A138 PolarHBondContact O-N 3.46Å; A138-R141 PolarHBondContact O-N 3.18Å; A138-A142 WeakPolarHBondContact O-CB 3.48Å; A138-A142 PolarHBondContact O-N 3.02Å
139K93.1Very high89.5Confident157 Ų157111.9 Ų111.968%0.68357%0.574SS**Hα-helixtrans-62.1-44.9175.4-173.1178.2180179.80111.8R135 I136 A142 V143R135-K139 WeakPolarHBondContact O-CB 3.49Å; R135-K139 PolarHBondContact O-N 3.11Å; I136-K139 PolarHBondContact O-N 3.05Å; K139-A142 PolarHBondContact O-N 3.4Å; K139-V143 WeakPolarHBondContact O-CG2 3.36Å; K139-V143 PolarHBondContact O-N 2.99Å
140K95.5Very high89.6Confident138 Ų138107.2 Ų107.260%0.656%0.564SS**Hα-helixtrans-58.1-51175.9-76-176.6177.2-174.70111.2I136 Q137 A142 V143 D144I136-K140 HydrophobicContact CG2-CD 4.47Å; I136-K140 WeakPolarHBondContact O-CG 3.26Å; I136-K140 PolarHBondContact O-N 3.19Å; Q137-K140 PolarHBondContact O-N 3.32Å; K140-A142 VanDerWaalsContact C-N 3.32Å; K140-A142 PolarHBondContact O-N 3.33Å; K140-V143 WeakPolarHBondContact O-CB 3.47Å; K140-V143 PolarHBondContact O-N 3.33Å; K140-V143 VanDerWaalsContact O-N 3.12Å; K140-D144 VanDerWaalsContact O-CG 3.25Å; K140-D144 PolarHBondContact O-N 3.05Å
141R94.7Very high89.4Confident165 Ų165113 Ų11362%0.62359%0.585SS**Hα-helixtrans-57.2-41.9176.5-77.2-175.8174.9175.8-0.7113Q137 A138 D144 L145Q137-R141 PolarHBondContact O-N 3.41Å; A138-R141 PolarHBondContact O-N 3.18Å; R141-D144 PolarHBondContact O-N 3.48Å; R141-L145 WeakPolarHBondContact O-CG 3.47Å; R141-L145 PolarHBondContact O-N 3.46Å
142A93.8Very high89Confident53 Ų53115.1 Ų115.144%0.43859%0.592SS.*Hα-helixtrans-63.3-41.6177.600000112A138 K139 K140 L145 V146A138-A142 WeakPolarHBondContact O-CB 3.48Å; A138-A142 PolarHBondContact O-N 3.02Å; K139-A142 PolarHBondContact O-N 3.4Å; K140-A142 VanDerWaalsContact C-N 3.32Å; K140-A142 PolarHBondContact O-N 3.33Å; A142-L145 PolarHBondContact O-N 2.96Å; A142-V146 WeakPolarHBondContact O-CG2 3.37Å; A142-V146 PolarHBondContact O-N 3.12Å
143V94Very high88.3Confident61 Ų61116.3 Ų116.337%0.3760%0.599SS.*Hα-helixtrans-63.7-43.6175.4171.90000111.1K139 K140 L145 V146 R147K139-V143 WeakPolarHBondContact O-CG2 3.36Å; K139-V143 PolarHBondContact O-N 2.99Å; K140-V143 WeakPolarHBondContact O-CB 3.47Å; K140-V143 PolarHBondContact O-N 3.33Å; K140-V143 VanDerWaalsContact O-N 3.12Å; V143-L145 VanDerWaalsContact C-N 3.34Å; V143-L145 PolarHBondContact O-N 3.35Å; V143-V146 PolarHBondContact O-N 3.04Å; V143-R147 WeakPolarHBondContact O-CG 3.45Å; V143-R147 PolarHBondContact O-N 3.32Å
144D94.2Very high87.4Confident93 Ų93113.4 Ų113.450%0.49760%0.597SS.*Hα-helixtrans-63.2-41.4179.3-63.1-27.6000111.4K140 R141 R147 A148K140-D144 VanDerWaalsContact O-CG 3.25Å; K140-D144 PolarHBondContact O-N 3.05Å; R141-D144 PolarHBondContact O-N 3.48Å; D144-R147 PolarHBondContact O-N 3.31Å; D144-A148 WeakPolarHBondContact O-CB 3.33Å; D144-A148 PolarHBondContact O-N 2.96Å
145L91.2Very high86.5Confident123 Ų123119.2 Ų119.264%0.64462%0.621SS**Hα-helixtrans-62.3-46.1174.8-74.8171.2000112.2R141 A142 V143 R147 A148 V149R141-L145 WeakPolarHBondContact O-CG 3.47Å; R141-L145 PolarHBondContact O-N 3.46Å; A142-L145 PolarHBondContact O-N 2.96Å; V143-L145 VanDerWaalsContact C-N 3.34Å; V143-L145 PolarHBondContact O-N 3.35Å; L145-R147 VanDerWaalsContact C-N 3.28Å; L145-R147 PolarHBondContact O-N 2.94Å; L145-A148 PolarHBondContact O-N 3.42Å; L145-V149 WeakPolarHBondContact O-CG2 3.42Å; L145-V149 PolarHBondContact O-N 2.98Å
146V89.1Confident86Confident110 Ų110115.8 Ų115.867%0.66763%0.625SS**Hα-helixtrans-62.2-37.7177.6170.90000111.4A142 V143 A148 V149A142-V146 WeakPolarHBondContact O-CG2 3.37Å; A142-V146 PolarHBondContact O-N 3.12Å; V143-V146 PolarHBondContact O-N 3.04Å; V146-A148 VanDerWaalsContact C-N 3.33Å; V146-V149 PolarHBondContact O-N 3.36Å
147R88Confident85.4Confident194 Ų194117.8 Ų117.873%0.73264%0.643SS**Hα-helixtrans-68-32.7176.3-74.5173.8176.2-175.9-2.9113V143 D144 L145 V149V143-R147 WeakPolarHBondContact O-CG 3.45Å; V143-R147 PolarHBondContact O-N 3.32Å; D144-R147 PolarHBondContact O-N 3.31Å; L145-R147 VanDerWaalsContact C-N 3.28Å; L145-R147 PolarHBondContact O-N 2.94Å; R147-V149 VanDerWaalsContact C-N 3.29Å
148A89Confident84.6Confident78 Ų78121.3 Ų121.365%0.64566%0.659SS**Hα-helixtrans-74.7-16.817900000113.3D144 L145 V146 P150D144-A148 WeakPolarHBondContact O-CB 3.33Å; D144-A148 PolarHBondContact O-N 2.96Å; L145-A148 PolarHBondContact O-N 3.42Å; V146-A148 VanDerWaalsContact C-N 3.33Å; A148-P150 WeakPolarHBondContact O-CD 3.34Å
149V84.5Confident84Confident95 Ų95130.3 Ų130.358%0.57668%0.681SS**SBendtrans-66.6118.1173.9-177.60000108.8L145 V146 R147 K151L145-V149 WeakPolarHBondContact O-CG2 3.42Å; L145-V149 PolarHBondContact O-N 2.98Å; V146-V149 PolarHBondContact O-N 3.36Å; R147-V149 VanDerWaalsContact C-N 3.29Å; V149-K151 PolarHBondContact O-N 2.94Å
150P83.4Confident82.8Confident95 Ų95138 Ų13862%0.61771%0.706SS**  trans-63.1122.7178.826.2-33.2000109.3A148 S152A148-P150 WeakPolarHBondContact O-CD 3.34Å; P150-S152 PolarHBondContact O-N 3.33Å
151K77Confident82.2Confident218 Ų218138.1 Ų138.195%0.94871%0.711SS**SBendtrans-67.4-15.9-177.7-66.2-177.7-179.5178.50113.4V149V149-K151 PolarHBondContact O-N 2.94Å
152S77.7Confident81.5Confident91 Ų91136.6 Ų136.664%0.63672%0.716SS**SBendtrans-132.8136.5172.248.20000108.7P150P150-S152 PolarHBondContact O-N 3.33Å
153L70.3Confident80.9Confident153 Ų153141.3 Ų141.380%0.80173%0.731SS**PPolyproline II helixtrans-61.9138.5161.4-71.3165.8000107.3I155L153-I155 PolarHBondContact O-N 2.97Å
154P70.4Confident80.1Confident115 Ų115146 Ų14675%0.74775%0.753SS**PPolyproline II helixtrans-56.9119.917023.8-30.9000107.7A156P154-A156 PolarHBondContact O-N 2.92Å; P154-A156 VanDerWaalsContact O-N 3.11Å
155I69.2Low79.2Confident164 Ų164149.3 Ų149.384%0.84177%0.769SS**PPolyproline II helixtrans-60.4118.2172.6-62.8168.4000105.6L153L153-I155 PolarHBondContact O-N 2.97Å
156A77Confident78.4Confident80 Ų80151.1 Ų151.166%0.66178%0.777SS**PPolyproline II helixtrans-56.6132.117600000108.3P154 H158P154-A156 PolarHBondContact O-N 2.92Å; P154-A156 VanDerWaalsContact O-N 3.11Å; A156-H158 PolarHBondContact O-N 3.22Å
157P78.1Confident77.6Confident121 Ų121154 Ų15479%0.78679%0.785SS**PPolyproline II helixtrans-58.5141.9-179.123.9-32.7000109.9R159P157-R159 PolarHBondContact O-N 2.99Å
158H77.9Confident76.9Confident189 Ų189150.9 Ų150.988%0.87579%0.789SS**PPolyproline II helixtrans-57.9124.3176-130.253.4000108.8A156 R160A156-H158 PolarHBondContact O-N 3.22Å; H158-R160 PolarHBondContact O-N 3.21Å
159R75.5Confident75.8Confident244 Ų244157 Ų15792%0.92180%0.801SS**PPolyproline II helixtrans-64118.6171.2-78-176.9175.1-178.7-2107.3P157P157-R159 PolarHBondContact O-N 2.99Å
160R69.2Low75.1Confident319 Ų319162.6 Ų162.6100%1.20482%0.821SS**  trans-66.50167.9-73.7-174178.9-175.4-0.6110.4H158H158-R160 PolarHBondContact O-N 3.21Å

Retrieved 160 of 160 residues in 186.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).